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This directory has 4 scripts that compute the thermal conductivity
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(kappa) of a Lennard-Jones fluid using 4 different methods. See the
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discussion in Section 6.20 of the manual for an overview of the
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methods and pointers to which commands implement them. Citations can
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also be found in the manaul.
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-------------
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These are the 4 methods for computing thermal conductivity. The first
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3 are non-equilibrium methods; the last is an equilibrium method.
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in.langevin = thermostat 2 regions at different temperatures via fix langevin
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in.heat = add/subtract energy to 2 regions via fix heat
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in.mp = uses fix thermal/conductivity and the Muller-Plathe method
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in.heatflux = use compute heat/flux and the Green-Kubo method
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The NEMD systems have 8000 atoms with a box length 2x larger in z, the
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non-equilibrium direction. The G-K system has 4000 atoms and a cubic
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box; it also needs to be run longer to generate good statistics.
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The scripts were all run on 8 processors. They all run in a minute or
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so and produce the accompanying log files and profile files (for
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temperature or heat-flux).
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The state point of the LJ fluid is rho* = 0.6, T* = 1.35, and Rcut =
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2.5 sigma. This was chosen to agree with a 1986 paper by D Evans in
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Phys Rev A, 34, p 1449, where he computed the thermal conductivity of
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a small 108-atom system using a thermostatting method. Fig 1 in the
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paper shows his simulations produced a kappa of around 3.4 for this
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system, in agreement with an experimental data point as well.
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-------------
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Here is how to extract Kappa from the log file output for each method.
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The NEMD methods use the formula kappa = dQ * dZ/dTemp where dQ =
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energy flux, and dTemp/dZ = temperature gradient.
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(1) in.langevin
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dQ = 8000 * 0.5*(0.905+0.947) / 100 / 18.82^2 / 2
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8000 atoms
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0.5*(0.905+0.947) = from log file =
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ave of total per-atom in/out energy for 2 regions
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100 = 20,000 steps at 0.005 tau timestep = run time in tau
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xy box area = 18.82^2
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divide by 2 since energy flux goes in 2 directions due to periodic z
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dTemp = 0.578 from log file for average Temp difference between 2 regions
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dZ = 18.82
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Kappa = 3.41
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(2) in.heat
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dQ = (100*100) / 100 / 18.82^2 / 2
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100*100 = 100 (time in tau) * 100 (energy delta specified in fix heat)
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100 = 20,000 steps at 0.005 tau timestep = run time in tau
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xy box area = 18.82^2
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divide by 2 since energy flux goes in 2 directions due to periodic z
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dTemp = 0.783 from log file for average Temp difference between 2 regions
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dZ = 18.82
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Kappa = 3.39
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(3) in.mp
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dQ = 15087 / 100 / 18.82^2 / 2
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15087 = cummulative delta energy, tallied by fix thermal/conductivity
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100 = 20,000 steps at 0.005 tau timestep = run time in tau
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xy box area = 18.82^2
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divide by 2 since energy flux goes in 2 directions due to periodic z
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dTemp = 1.16 from log file for average Temp difference between 2 regions
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dZ = 18.82
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Kappa = 3.45
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(4) in.heatflux
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kappa is computed directly within the script, by performing the time
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integration for the formulas discussed on the compute heat/flux doc
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page - the resulting value prints at the end of the run and is in the
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log file
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Kappa = 3.78
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# Sample LAMMPS input script for thermal conductivity of Ar
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# use fix heat to add/subtract energy from 2 regions
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# settings
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variable x equal 10
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variable y equal 10
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variable z equal 20
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variable rho equal 0.6
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variable t equal 1.35
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variable rc equal 2.5
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#variable rho equal 0.85
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#variable t equal 0.7
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#variable rc equal 3.0
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# setup problem
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units lj
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atom_style atomic
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lattice fcc ${rho}
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region box block 0 $x 0 $y 0 $z
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create_box 1 box
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create_atoms 1 box
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mass 1 1.0
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velocity all create $t 87287
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pair_style lj/cut ${rc}
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pair_coeff 1 1 1.0 1.0
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neighbor 0.3 bin
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neigh_modify delay 0 every 1
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# heat layers
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region hot block INF INF INF INF 0 1
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region cold block INF INF INF INF 10 11
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compute Thot all temp/region hot
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compute Tcold all temp/region cold
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# 1st equilibration run
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fix 1 all nvt temp $t $t 0.5
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thermo 100
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run 1000
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velocity all scale $t
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unfix 1
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# 2nd equilibration run
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fix 1 all nve
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fix hot all heat 1 100.0 region hot
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fix cold all heat 1 -100.0 region cold
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thermo_style custom step temp c_Thot c_Tcold
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thermo 1000
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run 10000
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# thermal conductivity calculation
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compute ke all ke/atom
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variable temp atom c_ke/1.5
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fix 2 all ave/spatial 10 100 1000 z lower 0.05 v_temp &
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file heat.temp.profile units reduced
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variable tdiff equal f_2[11][3]-f_2[1][3]
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fix ave all ave/time 1 1 1000 v_tdiff ave running start 13000
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thermo_style custom step temp c_Thot c_Tcold v_tdiff f_ave
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run 20000
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# Sample LAMMPS input script for thermal conductivity of Ar
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# use Green-Kubo method via compute heat/flux and fix ave/correlate
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# settings
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variable x equal 10
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variable y equal 10
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variable z equal 10
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variable rho equal 0.6
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variable t equal 1.35
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variable rc equal 2.5
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#variable rho equal 0.85
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#variable t equal 0.7
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#variable rc equal 3.0
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variable p equal 200 # correlation length
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variable s equal 10 # sample interval
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variable d equal $p*$s # dump interval
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# setup problem
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units lj
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atom_style atomic
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lattice fcc ${rho}
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region box block 0 $x 0 $y 0 $z
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create_box 1 box
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create_atoms 1 box
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mass 1 1.0
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velocity all create $t 87287
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pair_style lj/cut ${rc}
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pair_coeff 1 1 1.0 1.0
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neighbor 0.3 bin
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neigh_modify delay 0 every 1
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# 1st equilibration run
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fix 1 all nvt temp $t $t 0.5
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thermo 100
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run 1000
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velocity all scale $t
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unfix 1
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# thermal conductivity calculation
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reset_timestep 0
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compute myKE all ke/atom
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compute myPE all pe/atom
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compute myStress all stress/atom virial
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compute flux all heat/flux myKE myPE myStress
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variable Jx equal c_flux[1]/vol
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variable Jy equal c_flux[2]/vol
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variable Jz equal c_flux[3]/vol
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fix 1 all nve
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fix JJ all ave/correlate $s $p $d &
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c_flux[1] c_flux[2] c_flux[3] type auto &
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file heatflux.flux.profile ave running
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variable scale equal $s*dt/$t/$t/vol
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variable k11 equal trap(f_JJ[3])*${scale}
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variable k22 equal trap(f_JJ[4])*${scale}
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variable k33 equal trap(f_JJ[5])*${scale}
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thermo $d
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thermo_style custom step temp v_Jx v_Jy v_Jz v_k11 v_k22 v_k33
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run 100000
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variable kappa equal (v_k11+v_k22+v_k33)/3.0
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print "running average conductivity: ${kappa}"
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@ -0,0 +1,88 @@
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# Sample LAMMPS input script for thermal conductivity of Ar
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# thermostatting 2 regions via fix langevin
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# settings
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variable x equal 10
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variable y equal 10
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variable z equal 20
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variable rho equal 0.6
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variable t equal 1.35
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variable rc equal 2.5
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variable tlo equal 1.0
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variable thi equal 1.70
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#variable rho equal 0.85
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#variable t equal 0.7
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#variable rc equal 3.0
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#variable tlo equal 0.3
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#variable thi equal 1.0
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# setup problem
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units lj
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atom_style atomic
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lattice fcc ${rho}
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region box block 0 $x 0 $y 0 $z
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create_box 1 box
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create_atoms 1 box
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mass 1 1.0
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velocity all create $t 87287
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pair_style lj/cut ${rc}
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pair_coeff 1 1 1.0 1.0
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neighbor 0.3 bin
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neigh_modify delay 0 every 1
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# heat layers
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region hot block INF INF INF INF 0 1
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region cold block INF INF INF INF 10 11
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compute Thot all temp/region hot
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compute Tcold all temp/region cold
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# 1st equilibration run
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fix 1 all nvt temp $t $t 0.5
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thermo 100
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run 1000
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velocity all scale $t
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unfix 1
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# 2nd equilibration run
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fix 1 all nve
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fix hot all langevin ${thi} ${thi} 1.0 59804 tally yes
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fix cold all langevin ${tlo} ${tlo} 1.0 287859 tally yes
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fix_modify hot temp Thot
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fix_modify cold temp Tcold
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variable tdiff equal c_Thot-c_Tcold
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thermo_style custom step temp c_Thot c_Tcold f_hot f_cold v_tdiff
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thermo 1000
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run 10000
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# thermal conductivity calculation
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# reset langevin thermostats to zero energy accumulation
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compute ke all ke/atom
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variable temp atom c_ke/1.5
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fix hot all langevin ${thi} ${thi} 1.0 59804 tally yes
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fix cold all langevin ${tlo} ${tlo} 1.0 287859 tally yes
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fix_modify hot temp Thot
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fix_modify cold temp Tcold
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fix ave all ave/time 10 100 1000 v_tdiff ave running
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thermo_style custom step temp c_Thot c_Tcold f_hot f_cold v_tdiff f_ave
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fix 2 all ave/spatial 10 100 1000 z lower 0.05 v_temp &
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file profile.langevin units reduced
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run 20000
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@ -0,0 +1,71 @@
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# Sample LAMMPS input script for thermal conductivity of Ar
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# use Muller-Plathe method via fix thermal_conductivity
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# settings
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variable x equal 10
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variable y equal 10
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variable z equal 20
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variable rho equal 0.6
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variable t equal 1.35
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variable rc equal 2.5
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#variable rho equal 0.85
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#variable t equal 0.7
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#variable rc equal 3.0
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# setup problem
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units lj
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atom_style atomic
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lattice fcc ${rho}
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region box block 0 $x 0 $y 0 $z
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create_box 1 box
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create_atoms 1 box
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mass 1 1.0
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velocity all create $t 87287
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pair_style lj/cut ${rc}
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pair_coeff 1 1 1.0 1.0
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neighbor 0.3 bin
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neigh_modify delay 0 every 1
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# 1st equilibration run
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fix 1 all nvt temp $t $t 0.5
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thermo 100
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run 1000
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velocity all scale $t
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unfix 1
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# 2nd equilibration run
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compute ke all ke/atom
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variable temp atom c_ke/1.5
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fix 1 all nve
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fix 2 all ave/spatial 10 100 1000 z lower 0.05 v_temp &
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file profile.mp units reduced
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fix 3 all thermal/conductivity 10 z 20
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variable tdiff equal f_2[11][3]-f_2[1][3]
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thermo_style custom step temp epair etotal f_3 v_tdiff
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thermo 1000
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run 20000
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# thermal conductivity calculation
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# reset fix thermal/conductivity to zero energy accumulation
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fix 3 all thermal/conductivity 10 z 20
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fix ave all ave/time 1 1 1000 v_tdiff ave running
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thermo_style custom step temp epair etotal f_3 v_tdiff f_ave
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run 20000
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@ -0,0 +1,195 @@
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LAMMPS (10 Sep 2013)
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# Sample LAMMPS input script for thermal conductivity of Ar
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# use Muller-Plathe method via fix heat
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# settings
|
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variable x equal 10
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variable y equal 10
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variable z equal 20
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variable rho equal 0.6
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variable t equal 1.35
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variable rc equal 2.5
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#variable rho equal 0.85
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#variable t equal 0.7
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#variable rc equal 3.0
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# setup problem
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units lj
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atom_style atomic
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lattice fcc ${rho}
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lattice fcc 0.5999999999999999778
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Lattice spacing in x,y,z = 1.88207 1.88207 1.88207
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region box block 0 $x 0 $y 0 $z
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region box block 0 10 0 $y 0 $z
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region box block 0 10 0 10 0 $z
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region box block 0 10 0 10 0 20
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create_box 1 box
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Created orthogonal box = (0 0 0) to (18.8207 18.8207 37.6414)
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2 by 1 by 4 MPI processor grid
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create_atoms 1 box
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Created 8000 atoms
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mass 1 1.0
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velocity all create $t 87287
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velocity all create 1.3500000000000000888 87287
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pair_style lj/cut ${rc}
|
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pair_style lj/cut 2.5
|
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pair_coeff 1 1 1.0 1.0
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neighbor 0.3 bin
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neigh_modify delay 0 every 1
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# heat layers
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region hot block INF INF INF INF 0 1
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region cold block INF INF INF INF 10 11
|
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compute Thot all temp/region hot
|
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compute Tcold all temp/region cold
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# 1st equilibration run
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fix 1 all nvt temp $t $t 0.5
|
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fix 1 all nvt temp 1.3500000000000000888 $t 0.5
|
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fix 1 all nvt temp 1.3500000000000000888 1.3500000000000000888 0.5
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thermo 100
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run 1000
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Memory usage per processor = 2.15017 Mbytes
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Step Temp E_pair E_mol TotEng Press
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0 1.35 -4.1241917 0 -2.0994448 -3.1961612
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100 1.1819832 -3.7640881 0 -1.991335 0.53985757
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200 1.2578365 -3.7395333 0 -1.8530144 0.69591862
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300 1.3282971 -3.7215427 0 -1.7293461 0.79036065
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400 1.3714367 -3.7043826 0 -1.6474847 0.85873226
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500 1.3590952 -3.6707735 0 -1.6323855 0.99602024
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600 1.3575117 -3.7118244 0 -1.6758114 0.81454305
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700 1.3284444 -3.7075488 0 -1.7151313 0.81136596
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800 1.3419994 -3.7155648 0 -1.7028172 0.82925677
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900 1.3562214 -3.6965608 0 -1.662483 0.88908144
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1000 1.3732016 -3.7100024 0 -1.6504575 0.83982823
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Loop time of 0.949627 on 8 procs for 1000 steps with 8000 atoms
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Pair time (%) = 0.541163 (56.9869)
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Neigh time (%) = 0.235518 (24.8011)
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Comm time (%) = 0.116666 (12.2854)
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Outpt time (%) = 0.000346035 (0.036439)
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Other time (%) = 0.0559345 (5.89015)
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Nlocal: 1000 ave 1020 max 982 min
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Histogram: 1 0 2 1 0 1 1 1 0 1
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Nghost: 2299.5 ave 2331 max 2268 min
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Histogram: 1 1 1 1 0 0 0 3 0 1
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Neighs: 27122 ave 28382 max 26337 min
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Histogram: 2 0 2 1 1 0 0 1 0 1
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||||
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Total # of neighbors = 216976
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Ave neighs/atom = 27.122
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Neighbor list builds = 162
|
||||
Dangerous builds = 0
|
||||
|
||||
velocity all scale $t
|
||||
velocity all scale 1.3500000000000000888
|
||||
|
||||
unfix 1
|
||||
|
||||
# 2nd equilibration run
|
||||
|
||||
fix 1 all nve
|
||||
fix hot all heat 1 100.0 region hot
|
||||
fix cold all heat 1 -100.0 region cold
|
||||
|
||||
thermo_style custom step temp c_Thot c_Tcold
|
||||
thermo 1000
|
||||
run 10000
|
||||
Memory usage per processor = 2.15017 Mbytes
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||||
Step Temp Thot Tcold
|
||||
1000 1.35 1.4312938 1.2955632
|
||||
2000 1.3383526 1.4886167 1.1845746
|
||||
3000 1.3512872 1.5330189 1.2431131
|
||||
4000 1.3491306 1.5459695 1.299492
|
||||
5000 1.3611321 1.5755273 1.2212673
|
||||
6000 1.369584 1.6987374 1.1421637
|
||||
7000 1.3769492 1.7653566 1.1554964
|
||||
8000 1.3680264 1.6426586 1.1020001
|
||||
9000 1.3642597 1.7579672 1.0253294
|
||||
10000 1.3677656 1.698858 1.0444677
|
||||
11000 1.3708468 1.7470719 1.1183408
|
||||
Loop time of 11.1763 on 8 procs for 10000 steps with 8000 atoms
|
||||
|
||||
Pair time (%) = 5.4498 (48.7623)
|
||||
Neigh time (%) = 2.4618 (22.027)
|
||||
Comm time (%) = 1.84575 (16.5149)
|
||||
Outpt time (%) = 0.000465661 (0.00416652)
|
||||
Other time (%) = 1.41845 (12.6917)
|
||||
|
||||
Nlocal: 1000 ave 1118 max 871 min
|
||||
Histogram: 1 2 0 1 0 0 0 1 1 2
|
||||
Nghost: 2294.25 ave 2525 max 2085 min
|
||||
Histogram: 3 1 0 0 0 0 0 0 2 2
|
||||
Neighs: 27446.5 ave 33253 max 20930 min
|
||||
Histogram: 1 2 1 0 0 0 0 0 2 2
|
||||
|
||||
Total # of neighbors = 219572
|
||||
Ave neighs/atom = 27.4465
|
||||
Neighbor list builds = 1683
|
||||
Dangerous builds = 0
|
||||
|
||||
# thermal conductivity calculation
|
||||
|
||||
compute ke all ke/atom
|
||||
variable temp atom c_ke/1.5
|
||||
|
||||
fix 2 all ave/spatial 10 100 1000 z lower 0.05 v_temp file tmp.heat.profile units reduced
|
||||
|
||||
variable tdiff equal f_2[11][3]-f_2[1][3]
|
||||
fix ave all ave/time 1 1 1000 v_tdiff ave running start 13000
|
||||
thermo_style custom step temp c_Thot c_Tcold v_tdiff f_ave
|
||||
|
||||
run 20000
|
||||
Memory usage per processor = 2.15109 Mbytes
|
||||
Step Temp Thot Tcold tdiff ave
|
||||
11000 1.3708468 1.7662195 1.1183408 0 0
|
||||
12000 1.3722799 1.7811544 1.1393699 -0.71744565 0
|
||||
13000 1.3777974 1.8307271 1.0776677 -0.71069865 -0.71069865
|
||||
14000 1.3817673 1.7198196 1.078178 -0.74200864 -0.72635365
|
||||
15000 1.3849706 1.8792544 1.0381687 -0.747805 -0.7335041
|
||||
16000 1.3823079 1.8783335 1.0890383 -0.77082774 -0.74283501
|
||||
17000 1.3791187 1.8245087 1.0557001 -0.74548067 -0.74336414
|
||||
18000 1.3955968 1.8048436 1.0474721 -0.76527944 -0.74701669
|
||||
19000 1.3817125 1.8576994 1.0761735 -0.78636785 -0.75263828
|
||||
20000 1.3805485 1.9065688 1.0803109 -0.77920679 -0.75595935
|
||||
21000 1.3970612 1.8589171 1.0670841 -0.8216476 -0.76325804
|
||||
22000 1.3859794 1.7546388 1.0939013 -0.84576687 -0.77150892
|
||||
23000 1.4050968 1.9619801 1.1196115 -0.78305414 -0.77255849
|
||||
24000 1.3825415 1.8510125 1.0372205 -0.81397516 -0.77600988
|
||||
25000 1.3801926 1.8709932 1.0294042 -0.77974743 -0.77629738
|
||||
26000 1.3849019 1.8814658 1.063162 -0.74552957 -0.77409968
|
||||
27000 1.3767533 1.9604879 1.0333709 -0.81435399 -0.7767833
|
||||
28000 1.3799935 1.957718 1.084241 -0.80689552 -0.77866532
|
||||
29000 1.3773579 1.8567955 1.0675762 -0.81444274 -0.78076987
|
||||
30000 1.382101 1.9337034 1.0679145 -0.79821576 -0.78173909
|
||||
31000 1.3779178 1.8832819 1.0837774 -0.80611097 -0.78302182
|
||||
Loop time of 24.0082 on 8 procs for 20000 steps with 8000 atoms
|
||||
|
||||
Pair time (%) = 10.9795 (45.7322)
|
||||
Neigh time (%) = 5.06218 (21.0852)
|
||||
Comm time (%) = 5.02267 (20.9207)
|
||||
Outpt time (%) = 0.00179473 (0.00747548)
|
||||
Other time (%) = 2.94205 (12.2544)
|
||||
|
||||
Nlocal: 1000 ave 1119 max 853 min
|
||||
Histogram: 1 1 2 0 0 0 0 0 1 3
|
||||
Nghost: 2304.25 ave 2554 max 2033 min
|
||||
Histogram: 2 1 1 0 0 0 0 0 2 2
|
||||
Neighs: 27503.1 ave 33833 max 20256 min
|
||||
Histogram: 1 3 0 0 0 0 0 0 0 4
|
||||
|
||||
Total # of neighbors = 220025
|
||||
Ave neighs/atom = 27.5031
|
||||
Neighbor list builds = 3443
|
||||
Dangerous builds = 0
|
||||
|
|
@ -0,0 +1,208 @@
|
|||
LAMMPS (10 Sep 2013)
|
||||
# Sample LAMMPS input script for thermal conductivity of Ar
|
||||
# use Green-Kubo method via compute heat/flux and fix ave/correlate
|
||||
|
||||
# settings
|
||||
|
||||
variable x equal 10
|
||||
variable y equal 10
|
||||
variable z equal 10
|
||||
|
||||
variable rho equal 0.6
|
||||
variable t equal 1.35
|
||||
variable rc equal 2.5
|
||||
|
||||
#variable rho equal 0.85
|
||||
#variable t equal 0.7
|
||||
#variable rc equal 3.0
|
||||
|
||||
variable p equal 200 # correlation length
|
||||
variable s equal 10 # sample interval
|
||||
variable d equal $p*$s # dump interval
|
||||
variable d equal 200*$s
|
||||
variable d equal 200*10
|
||||
|
||||
# setup problem
|
||||
|
||||
units lj
|
||||
atom_style atomic
|
||||
|
||||
lattice fcc ${rho}
|
||||
lattice fcc 0.5999999999999999778
|
||||
Lattice spacing in x,y,z = 1.88207 1.88207 1.88207
|
||||
region box block 0 $x 0 $y 0 $z
|
||||
region box block 0 10 0 $y 0 $z
|
||||
region box block 0 10 0 10 0 $z
|
||||
region box block 0 10 0 10 0 10
|
||||
create_box 1 box
|
||||
Created orthogonal box = (0 0 0) to (18.8207 18.8207 18.8207)
|
||||
2 by 2 by 2 MPI processor grid
|
||||
create_atoms 1 box
|
||||
Created 4000 atoms
|
||||
mass 1 1.0
|
||||
|
||||
velocity all create $t 87287
|
||||
velocity all create 1.3500000000000000888 87287
|
||||
|
||||
pair_style lj/cut ${rc}
|
||||
pair_style lj/cut 2.5
|
||||
pair_coeff 1 1 1.0 1.0
|
||||
|
||||
neighbor 0.3 bin
|
||||
neigh_modify delay 0 every 1
|
||||
|
||||
# 1st equilibration run
|
||||
|
||||
fix 1 all nvt temp $t $t 0.5
|
||||
fix 1 all nvt temp 1.3500000000000000888 $t 0.5
|
||||
fix 1 all nvt temp 1.3500000000000000888 1.3500000000000000888 0.5
|
||||
thermo 100
|
||||
run 1000
|
||||
Memory usage per processor = 2.1135 Mbytes
|
||||
Step Temp E_pair E_mol TotEng Press
|
||||
0 1.35 -4.1241917 0 -2.0996979 -3.1962625
|
||||
100 1.1997886 -3.7796264 0 -1.9803934 0.4889458
|
||||
200 1.271238 -3.7354981 0 -1.8291178 0.6873844
|
||||
300 1.3346808 -3.6942841 0 -1.6927634 0.84332881
|
||||
400 1.4020848 -3.7118654 0 -1.6092641 0.87670585
|
||||
500 1.3723622 -3.6917931 0 -1.6337644 0.92172921
|
||||
600 1.3451676 -3.7281573 0 -1.7109103 0.76029091
|
||||
700 1.3021567 -3.6876155 0 -1.7348687 0.82721085
|
||||
800 1.3489121 -3.7082852 0 -1.6854229 0.86438062
|
||||
900 1.3708803 -3.6966168 0 -1.6408104 0.92141491
|
||||
1000 1.3640742 -3.7075323 0 -1.6619325 0.86651245
|
||||
Loop time of 0.493304 on 8 procs for 1000 steps with 4000 atoms
|
||||
|
||||
Pair time (%) = 0.265207 (53.7614)
|
||||
Neigh time (%) = 0.112109 (22.7261)
|
||||
Comm time (%) = 0.0850304 (17.2369)
|
||||
Outpt time (%) = 0.000273377 (0.0554175)
|
||||
Other time (%) = 0.0306842 (6.22014)
|
||||
|
||||
Nlocal: 500 ave 510 max 479 min
|
||||
Histogram: 1 0 0 0 0 2 1 1 0 3
|
||||
Nghost: 1519 ave 1539 max 1509 min
|
||||
Histogram: 2 0 4 0 0 0 0 1 0 1
|
||||
Neighs: 13553.8 ave 14051 max 12567 min
|
||||
Histogram: 1 0 0 0 1 0 2 1 1 2
|
||||
|
||||
Total # of neighbors = 108430
|
||||
Ave neighs/atom = 27.1075
|
||||
Neighbor list builds = 155
|
||||
Dangerous builds = 0
|
||||
|
||||
velocity all scale $t
|
||||
velocity all scale 1.3500000000000000888
|
||||
|
||||
unfix 1
|
||||
|
||||
# thermal conductivity calculation
|
||||
|
||||
reset_timestep 0
|
||||
|
||||
compute myKE all ke/atom
|
||||
compute myPE all pe/atom
|
||||
compute myStress all stress/atom virial
|
||||
compute flux all heat/flux myKE myPE myStress
|
||||
variable Jx equal c_flux[1]/vol
|
||||
variable Jy equal c_flux[2]/vol
|
||||
variable Jz equal c_flux[3]/vol
|
||||
|
||||
fix 1 all nve
|
||||
fix JJ all ave/correlate $s $p $d c_flux[1] c_flux[2] c_flux[3] type auto file tmp.heatflux ave running
|
||||
fix JJ all ave/correlate 10 $p $d c_flux[1] c_flux[2] c_flux[3] type auto file tmp.heatflux ave running
|
||||
fix JJ all ave/correlate 10 200 $d c_flux[1] c_flux[2] c_flux[3] type auto file tmp.heatflux ave running
|
||||
fix JJ all ave/correlate 10 200 2000 c_flux[1] c_flux[2] c_flux[3] type auto file tmp.heatflux ave running
|
||||
|
||||
variable scale equal $s*dt/$t/$t/vol
|
||||
variable scale equal 10*dt/$t/$t/vol
|
||||
variable scale equal 10*dt/1.3500000000000000888/$t/vol
|
||||
variable scale equal 10*dt/1.3500000000000000888/1.3500000000000000888/vol
|
||||
variable k11 equal trap(f_JJ[3])*${scale}
|
||||
variable k11 equal trap(f_JJ[3])*4.1152263374485591464e-06
|
||||
variable k22 equal trap(f_JJ[4])*${scale}
|
||||
variable k22 equal trap(f_JJ[4])*4.1152263374485591464e-06
|
||||
variable k33 equal trap(f_JJ[5])*${scale}
|
||||
variable k33 equal trap(f_JJ[5])*4.1152263374485591464e-06
|
||||
|
||||
thermo $d
|
||||
thermo 2000
|
||||
thermo_style custom step temp v_Jx v_Jy v_Jz v_k11 v_k22 v_k33
|
||||
|
||||
run 100000
|
||||
Memory usage per processor = 3.25802 Mbytes
|
||||
Step Temp Jx Jy Jz k11 k22 k33
|
||||
0 1.35 0.012562011 -0.087289131 -0.037038204 0.014431103 0.69678942 0.125453
|
||||
2000 1.3488448 -0.082686441 -0.05888314 0.15641005 9.6556473 4.8724539 39.132688
|
||||
4000 1.3506828 0.055310422 -0.038254827 -0.081110393 3.4422239 2.3744865 7.4870977
|
||||
6000 1.3324005 -0.10634454 -0.011811473 0.024430149 3.6509701 11.111829 2.7413472
|
||||
8000 1.3465517 -0.13857537 -0.058386681 -0.013220164 6.5578792 6.6188014 3.6355334
|
||||
10000 1.3454126 -0.044292047 -0.0055045339 -0.051726965 5.6920768 6.5502293 7.8616795
|
||||
12000 1.3601798 0.18989029 -0.094977713 -0.059726722 5.2989118 8.8331032 7.972481
|
||||
14000 1.3414287 0.0064865781 0.056749763 0.12775935 4.453589 6.4962925 7.9502167
|
||||
16000 1.3249032 0.0023833148 0.0074389705 -0.12452498 5.2719354 6.164126 7.9937329
|
||||
18000 1.3486905 0.24719037 -0.13649854 -0.051766952 3.7849335 5.4803263 6.9701788
|
||||
20000 1.3572854 0.065005524 0.050772448 0.12768096 3.378611 5.6519702 7.1233623
|
||||
22000 1.352508 -0.042516792 -0.070285937 -0.03879074 5.4717313 5.4908509 6.7550818
|
||||
24000 1.3559841 -0.015758535 -0.098318418 0.027238601 6.0025309 5.2571093 6.0763852
|
||||
26000 1.3442105 -0.047372234 0.036647228 -0.0052159685 6.8263856 4.6880057 6.1674781
|
||||
28000 1.3522633 0.025172759 -0.016031105 0.12001218 6.3114313 4.1003669 5.7234478
|
||||
30000 1.3593364 -0.044078855 0.0089521622 0.13278909 5.4296394 3.8944372 5.2946242
|
||||
32000 1.3412479 -0.013107683 -0.089437735 -0.089978727 5.0171818 4.2838538 6.7869585
|
||||
34000 1.3490784 -0.069828566 -0.018570411 0.018866428 5.1053455 3.7588109 5.7177159
|
||||
36000 1.3630314 -0.017768864 0.067999673 0.016212961 5.3345297 3.6547014 5.5137046
|
||||
38000 1.3564307 0.080792723 0.12705697 0.0023785227 5.1062587 3.6140422 5.5464591
|
||||
40000 1.3546707 -0.030425013 0.17303248 -0.043210574 4.5874798 3.6033647 5.2304191
|
||||
42000 1.3549663 0.10109213 -0.056635329 0.047756306 4.1930341 3.4788566 5.3322825
|
||||
44000 1.3557286 0.0083871709 -0.08039758 0.0060697507 4.8453948 3.7579315 4.9727852
|
||||
46000 1.3434325 0.048348267 -0.12296683 -0.012320195 4.6106895 3.6890294 4.6654515
|
||||
48000 1.3520456 0.052909962 0.034221069 0.011730009 4.8097414 3.897061 4.5042484
|
||||
50000 1.3480467 0.084823081 -0.093901701 0.091139125 4.6836534 3.7687187 4.4227539
|
||||
52000 1.3473278 -0.12531922 -0.065273509 0.11638381 4.9413341 3.8765808 4.5227649
|
||||
54000 1.3672128 0.11139848 0.034992201 -0.022009105 4.695476 3.5100821 5.0401349
|
||||
56000 1.341716 0.12258667 -0.089117615 0.041707151 4.5195052 3.3873269 4.972056
|
||||
58000 1.359732 0.063106883 -0.026013959 -0.026567969 4.3259743 3.6185582 4.721062
|
||||
60000 1.3587911 0.05591296 -0.12996822 0.095669495 4.1958916 3.5682633 4.8210022
|
||||
62000 1.3483527 0.048201166 -0.030400186 -0.018919104 4.0886746 3.7373315 4.8825261
|
||||
64000 1.3531159 -0.10850158 -0.093503261 0.095145743 3.9415737 3.6946305 4.6787173
|
||||
66000 1.3534358 0.0070478917 -0.13855333 -0.0028185444 3.989283 3.7940811 4.5848181
|
||||
68000 1.3509679 -0.17972456 -0.15918151 -0.0092253402 4.1168514 3.689533 4.9348847
|
||||
70000 1.3496439 0.025102803 -0.12080911 0.0099284856 4.0474517 3.6265752 4.8809921
|
||||
72000 1.3382578 0.2235088 0.10981254 0.049251118 3.9059236 3.5169408 4.9528845
|
||||
74000 1.3529223 0.012949328 0.11733173 0.12107899 4.0011677 3.4205986 4.7288624
|
||||
76000 1.3442459 0.090185942 0.038587691 -0.023131667 3.9854752 3.4013375 4.7967661
|
||||
78000 1.3423941 0.072006425 -0.009752458 0.058791886 3.87483 3.3898574 5.0306248
|
||||
80000 1.3501112 -0.041057888 -0.11150244 -0.052369732 3.7648956 3.2969166 4.9549774
|
||||
82000 1.358605 0.14838249 0.055223984 0.019108344 3.8986959 3.2556248 4.8872754
|
||||
84000 1.357958 -0.087190849 0.029998974 0.089839797 4.4229469 3.2567955 4.7704664
|
||||
86000 1.3340187 0.10824995 -0.013149214 0.042146878 3.9867785 3.2596969 4.6510248
|
||||
88000 1.3428375 -0.033908572 -0.11261352 0.099056349 3.8033502 3.1706434 4.5328732
|
||||
90000 1.3299574 0.055893064 -0.22127211 -0.042737098 3.7086395 3.118066 4.5709281
|
||||
92000 1.3488719 0.040126575 0.074080804 0.019410656 3.8714376 3.0342566 4.4798044
|
||||
94000 1.3621842 -0.087519994 0.028392459 0.047179422 3.7841822 3.1603745 4.3925598
|
||||
96000 1.3578003 0.081511213 -0.0083540805 0.015204759 3.7117805 3.0610774 4.2886014
|
||||
98000 1.3477904 -0.13903407 0.1146023 0.059812672 3.7445818 3.284994 4.3000618
|
||||
100000 1.3583776 0.16015243 0.19139469 0.097636877 3.8265662 3.280556 4.2276263
|
||||
Loop time of 52.5788 on 8 procs for 100000 steps with 4000 atoms
|
||||
|
||||
Pair time (%) = 29.2219 (55.5773)
|
||||
Neigh time (%) = 11.5873 (22.0379)
|
||||
Comm time (%) = 8.46584 (16.1013)
|
||||
Outpt time (%) = 0.0292095 (0.0555537)
|
||||
Other time (%) = 3.27458 (6.22796)
|
||||
|
||||
Nlocal: 500 ave 519 max 493 min
|
||||
Histogram: 4 1 0 1 0 0 1 0 0 1
|
||||
Nghost: 1547 ave 1558 max 1523 min
|
||||
Histogram: 1 0 0 0 0 2 1 0 2 2
|
||||
Neighs: 13544.8 ave 14633 max 13111 min
|
||||
Histogram: 2 1 3 1 0 0 0 0 0 1
|
||||
|
||||
Total # of neighbors = 108358
|
||||
Ave neighs/atom = 27.0895
|
||||
Neighbor list builds = 16041
|
||||
Dangerous builds = 0
|
||||
|
||||
variable kappa equal (v_k11+v_k22+v_k33)/3.0
|
||||
print "running average conductivity: ${kappa}"
|
||||
running average conductivity: 3.7782495148146728603
|
||||
|
|
@ -0,0 +1,215 @@
|
|||
LAMMPS (10 Sep 2013)
|
||||
# Sample LAMMPS input script for thermal conductivity of Ar
|
||||
# use thermostatting method via fix langevin
|
||||
|
||||
# settings
|
||||
|
||||
variable x equal 10
|
||||
variable y equal 10
|
||||
variable z equal 20
|
||||
|
||||
variable rho equal 0.6
|
||||
variable t equal 1.35
|
||||
variable rc equal 2.5
|
||||
variable tlo equal 1.0
|
||||
variable thi equal 1.70
|
||||
|
||||
#variable rho equal 0.85
|
||||
#variable t equal 0.7
|
||||
#variable rc equal 3.0
|
||||
#variable tlo equal 0.3
|
||||
#variable thi equal 1.0
|
||||
|
||||
# setup problem
|
||||
|
||||
units lj
|
||||
atom_style atomic
|
||||
|
||||
lattice fcc ${rho}
|
||||
lattice fcc 0.5999999999999999778
|
||||
Lattice spacing in x,y,z = 1.88207 1.88207 1.88207
|
||||
region box block 0 $x 0 $y 0 $z
|
||||
region box block 0 10 0 $y 0 $z
|
||||
region box block 0 10 0 10 0 $z
|
||||
region box block 0 10 0 10 0 20
|
||||
create_box 1 box
|
||||
Created orthogonal box = (0 0 0) to (18.8207 18.8207 37.6414)
|
||||
2 by 1 by 4 MPI processor grid
|
||||
create_atoms 1 box
|
||||
Created 8000 atoms
|
||||
mass 1 1.0
|
||||
|
||||
velocity all create $t 87287
|
||||
velocity all create 1.3500000000000000888 87287
|
||||
|
||||
pair_style lj/cut ${rc}
|
||||
pair_style lj/cut 2.5
|
||||
pair_coeff 1 1 1.0 1.0
|
||||
|
||||
neighbor 0.3 bin
|
||||
neigh_modify delay 0 every 1
|
||||
|
||||
# heat layers
|
||||
|
||||
region hot block INF INF INF INF 0 1
|
||||
region cold block INF INF INF INF 10 11
|
||||
compute Thot all temp/region hot
|
||||
compute Tcold all temp/region cold
|
||||
|
||||
# 1st equilibration run
|
||||
|
||||
fix 1 all nvt temp $t $t 0.5
|
||||
fix 1 all nvt temp 1.3500000000000000888 $t 0.5
|
||||
fix 1 all nvt temp 1.3500000000000000888 1.3500000000000000888 0.5
|
||||
thermo 100
|
||||
run 1000
|
||||
Memory usage per processor = 2.15017 Mbytes
|
||||
Step Temp E_pair E_mol TotEng Press
|
||||
0 1.35 -4.1241917 0 -2.0994448 -3.1961612
|
||||
100 1.1819832 -3.7640881 0 -1.991335 0.53985757
|
||||
200 1.2578365 -3.7395333 0 -1.8530144 0.69591862
|
||||
300 1.3282971 -3.7215427 0 -1.7293461 0.79036065
|
||||
400 1.3714367 -3.7043826 0 -1.6474847 0.85873226
|
||||
500 1.3590952 -3.6707735 0 -1.6323855 0.99602024
|
||||
600 1.3575117 -3.7118244 0 -1.6758114 0.81454305
|
||||
700 1.3284444 -3.7075488 0 -1.7151313 0.81136596
|
||||
800 1.3419994 -3.7155648 0 -1.7028172 0.82925677
|
||||
900 1.3562214 -3.6965608 0 -1.662483 0.88908144
|
||||
1000 1.3732016 -3.7100024 0 -1.6504575 0.83982823
|
||||
Loop time of 0.97534 on 8 procs for 1000 steps with 8000 atoms
|
||||
|
||||
Pair time (%) = 0.546534 (56.0352)
|
||||
Neigh time (%) = 0.238185 (24.4207)
|
||||
Comm time (%) = 0.131359 (13.468)
|
||||
Outpt time (%) = 0.000289977 (0.0297308)
|
||||
Other time (%) = 0.0589725 (6.04636)
|
||||
|
||||
Nlocal: 1000 ave 1020 max 982 min
|
||||
Histogram: 1 0 2 1 0 1 1 1 0 1
|
||||
Nghost: 2299.5 ave 2331 max 2268 min
|
||||
Histogram: 1 1 1 1 0 0 0 3 0 1
|
||||
Neighs: 27122 ave 28382 max 26337 min
|
||||
Histogram: 2 0 2 1 1 0 0 1 0 1
|
||||
|
||||
Total # of neighbors = 216976
|
||||
Ave neighs/atom = 27.122
|
||||
Neighbor list builds = 162
|
||||
Dangerous builds = 0
|
||||
|
||||
velocity all scale $t
|
||||
velocity all scale 1.3500000000000000888
|
||||
|
||||
unfix 1
|
||||
|
||||
# 2nd equilibration run
|
||||
|
||||
fix 1 all nve
|
||||
fix hot all langevin ${thi} ${thi} 1.0 59804 tally yes
|
||||
fix hot all langevin 1.6999999999999999556 ${thi} 1.0 59804 tally yes
|
||||
fix hot all langevin 1.6999999999999999556 1.6999999999999999556 1.0 59804 tally yes
|
||||
fix cold all langevin ${tlo} ${tlo} 1.0 287859 tally yes
|
||||
fix cold all langevin 1 ${tlo} 1.0 287859 tally yes
|
||||
fix cold all langevin 1 1 1.0 287859 tally yes
|
||||
fix_modify hot temp Thot
|
||||
fix_modify cold temp Tcold
|
||||
|
||||
variable tdiff equal c_Thot-c_Tcold
|
||||
thermo_style custom step temp c_Thot c_Tcold f_hot f_cold v_tdiff
|
||||
thermo 1000
|
||||
run 10000
|
||||
Memory usage per processor = 2.60798 Mbytes
|
||||
Step Temp Thot Tcold hot cold tdiff
|
||||
1000 1.35 1.4312938 1.2955632 -0 -0 0.13573057
|
||||
2000 1.3600182 1.4938327 1.1089359 -0.12327243 0.13841286 0.38489675
|
||||
3000 1.3392692 1.6479324 1.0942283 -0.22042205 0.25598524 0.55370413
|
||||
4000 1.3471697 1.651889 1.1414137 -0.28373342 0.33177173 0.51047523
|
||||
5000 1.334676 1.6458917 1.0783534 -0.34031535 0.40560755 0.56753829
|
||||
6000 1.3190799 1.7086162 1.0615588 -0.37644049 0.48354454 0.64705733
|
||||
7000 1.3249795 1.629343 1.0564243 -0.42503728 0.52993342 0.57291862
|
||||
8000 1.3229688 1.6502146 1.1114894 -0.47659986 0.59009825 0.53872521
|
||||
9000 1.3126211 1.5294993 1.0554547 -0.51927956 0.63860042 0.47404463
|
||||
10000 1.3129013 1.6801776 1.1008841 -0.58086618 0.69160264 0.57929342
|
||||
11000 1.3142376 1.5852877 1.0923244 -0.62980209 0.7406649 0.49296336
|
||||
Loop time of 12.5268 on 8 procs for 10000 steps with 8000 atoms
|
||||
|
||||
Pair time (%) = 5.45526 (43.5488)
|
||||
Neigh time (%) = 2.46362 (19.6668)
|
||||
Comm time (%) = 2.16206 (17.2595)
|
||||
Outpt time (%) = 0.000730932 (0.00583496)
|
||||
Other time (%) = 2.4451 (19.519)
|
||||
|
||||
Nlocal: 1000 ave 1115 max 861 min
|
||||
Histogram: 1 2 1 0 0 0 0 0 1 3
|
||||
Nghost: 2287.75 ave 2520 max 2084 min
|
||||
Histogram: 4 0 0 0 0 0 0 0 2 2
|
||||
Neighs: 27417.8 ave 34089 max 20302 min
|
||||
Histogram: 1 2 1 0 0 0 0 1 1 2
|
||||
|
||||
Total # of neighbors = 219342
|
||||
Ave neighs/atom = 27.4178
|
||||
Neighbor list builds = 1680
|
||||
Dangerous builds = 0
|
||||
|
||||
# thermal conductivity calculation
|
||||
# rest langevin thermostats to zero energy accumulation
|
||||
|
||||
compute ke all ke/atom
|
||||
variable temp atom c_ke/1.5
|
||||
|
||||
fix hot all langevin ${thi} ${thi} 1.0 59804 tally yes
|
||||
fix hot all langevin 1.6999999999999999556 ${thi} 1.0 59804 tally yes
|
||||
fix hot all langevin 1.6999999999999999556 1.6999999999999999556 1.0 59804 tally yes
|
||||
fix cold all langevin ${tlo} ${tlo} 1.0 287859 tally yes
|
||||
fix cold all langevin 1 ${tlo} 1.0 287859 tally yes
|
||||
fix cold all langevin 1 1 1.0 287859 tally yes
|
||||
fix_modify hot temp Thot
|
||||
fix_modify cold temp Tcold
|
||||
|
||||
fix ave all ave/time 10 100 1000 v_tdiff ave running
|
||||
thermo_style custom step temp c_Thot c_Tcold f_hot f_cold v_tdiff f_ave
|
||||
|
||||
#fix 2 all ave/spatial 10 100 1000 z lower 0.05 v_temp # file tmp.langevin.profile units reduced
|
||||
|
||||
run 20000
|
||||
Memory usage per processor = 2.60798 Mbytes
|
||||
Step Temp Thot Tcold hot cold tdiff ave
|
||||
11000 1.3142376 1.5805779 1.0923244 -0 -0 0.48825352 0
|
||||
12000 1.3225589 1.6154238 1.0342455 -0.051194062 0.046031906 0.58117829 0.54242131
|
||||
13000 1.3119407 1.6548145 1.0714553 -0.081528355 0.10507007 0.58335923 0.54757509
|
||||
14000 1.3061547 1.7079311 0.9801908 -0.11986269 0.14930552 0.72774029 0.54255768
|
||||
15000 1.2957396 1.5670317 1.0093755 -0.15855886 0.19356024 0.55765623 0.55143106
|
||||
16000 1.3180385 1.6721325 1.0297962 -0.23192621 0.24323028 0.64233637 0.56253776
|
||||
17000 1.3140155 1.693781 1.062984 -0.27316253 0.29027073 0.63079703 0.56712207
|
||||
18000 1.3145256 1.7182561 1.0112929 -0.31606959 0.3514788 0.70696323 0.57126619
|
||||
19000 1.3029832 1.671437 1.0286076 -0.36077476 0.3703359 0.64282944 0.57227786
|
||||
20000 1.3169429 1.6862866 1.0526037 -0.41113477 0.42252001 0.63368298 0.57730048
|
||||
21000 1.304035 1.5546028 1.0678413 -0.44818715 0.47665155 0.48676144 0.57750064
|
||||
22000 1.3038162 1.6037462 1.1158159 -0.48677585 0.52085209 0.48793029 0.5775028
|
||||
23000 1.308484 1.8036478 1.0301731 -0.53897224 0.55633511 0.77347468 0.57780744
|
||||
24000 1.2999222 1.6781069 1.0415262 -0.56108402 0.60571058 0.6365807 0.57778018
|
||||
25000 1.2985672 1.6777481 1.1020937 -0.62070929 0.65867799 0.57565434 0.57862472
|
||||
26000 1.2792285 1.6449327 1.0902922 -0.65913559 0.73111032 0.55464042 0.57741553
|
||||
27000 1.2767155 1.4922686 1.121709 -0.70930887 0.78358989 0.37055954 0.576284
|
||||
28000 1.2801575 1.6613064 1.0472095 -0.74451574 0.82536406 0.61409695 0.57539385
|
||||
29000 1.2951069 1.6182462 1.0399072 -0.81139634 0.87944086 0.578339 0.57766082
|
||||
30000 1.2858636 1.7333034 1.0312729 -0.84679466 0.9135831 0.70203052 0.5783587
|
||||
31000 1.2921828 1.5891728 1.058652 -0.90491088 0.9466585 0.53052079 0.57794447
|
||||
Loop time of 26.0148 on 8 procs for 20000 steps with 8000 atoms
|
||||
|
||||
Pair time (%) = 10.9369 (42.0409)
|
||||
Neigh time (%) = 4.91944 (18.9101)
|
||||
Comm time (%) = 5.07596 (19.5118)
|
||||
Outpt time (%) = 0.00115007 (0.00442083)
|
||||
Other time (%) = 5.08143 (19.5328)
|
||||
|
||||
Nlocal: 1000 ave 1125 max 883 min
|
||||
Histogram: 3 1 0 0 0 0 0 1 0 3
|
||||
Nghost: 2298.62 ave 2501 max 2080 min
|
||||
Histogram: 4 0 0 0 0 0 0 0 0 4
|
||||
Neighs: 27465.4 ave 34253 max 21476 min
|
||||
Histogram: 4 0 0 0 0 0 0 0 2 2
|
||||
|
||||
Total # of neighbors = 219723
|
||||
Ave neighs/atom = 27.4654
|
||||
Neighbor list builds = 3351
|
||||
Dangerous builds = 0
|
||||
|
|
@ -0,0 +1,200 @@
|
|||
LAMMPS (10 Sep 2013)
|
||||
# Sample LAMMPS input script for thermal conductivity of Ar
|
||||
# use Muller-Plathe method via fix thermal_conductivity
|
||||
|
||||
# settings
|
||||
|
||||
variable x equal 10
|
||||
variable y equal 10
|
||||
variable z equal 20
|
||||
|
||||
variable rho equal 0.6
|
||||
variable t equal 1.35
|
||||
variable rc equal 2.5
|
||||
|
||||
#variable rho equal 0.85
|
||||
#variable t equal 0.7
|
||||
#variable rc equal 3.0
|
||||
|
||||
# setup problem
|
||||
|
||||
units lj
|
||||
atom_style atomic
|
||||
|
||||
lattice fcc ${rho}
|
||||
lattice fcc 0.5999999999999999778
|
||||
Lattice spacing in x,y,z = 1.88207 1.88207 1.88207
|
||||
region box block 0 $x 0 $y 0 $z
|
||||
region box block 0 10 0 $y 0 $z
|
||||
region box block 0 10 0 10 0 $z
|
||||
region box block 0 10 0 10 0 20
|
||||
create_box 1 box
|
||||
Created orthogonal box = (0 0 0) to (18.8207 18.8207 37.6414)
|
||||
2 by 1 by 4 MPI processor grid
|
||||
create_atoms 1 box
|
||||
Created 8000 atoms
|
||||
mass 1 1.0
|
||||
|
||||
velocity all create $t 87287
|
||||
velocity all create 1.3500000000000000888 87287
|
||||
|
||||
pair_style lj/cut ${rc}
|
||||
pair_style lj/cut 2.5
|
||||
pair_coeff 1 1 1.0 1.0
|
||||
|
||||
neighbor 0.3 bin
|
||||
neigh_modify delay 0 every 1
|
||||
|
||||
# 1st equilibration run
|
||||
|
||||
fix 1 all nvt temp $t $t 0.5
|
||||
fix 1 all nvt temp 1.3500000000000000888 $t 0.5
|
||||
fix 1 all nvt temp 1.3500000000000000888 1.3500000000000000888 0.5
|
||||
thermo 100
|
||||
run 1000
|
||||
Memory usage per processor = 2.15017 Mbytes
|
||||
Step Temp E_pair E_mol TotEng Press
|
||||
0 1.35 -4.1241917 0 -2.0994448 -3.1961612
|
||||
100 1.1819832 -3.7640881 0 -1.991335 0.53985757
|
||||
200 1.2578365 -3.7395333 0 -1.8530144 0.69591862
|
||||
300 1.3282971 -3.7215427 0 -1.7293461 0.79036065
|
||||
400 1.3714367 -3.7043826 0 -1.6474847 0.85873226
|
||||
500 1.3590952 -3.6707735 0 -1.6323855 0.99602024
|
||||
600 1.3575117 -3.7118244 0 -1.6758114 0.81454305
|
||||
700 1.3284444 -3.7075488 0 -1.7151313 0.81136596
|
||||
800 1.3419994 -3.7155648 0 -1.7028172 0.82925677
|
||||
900 1.3562214 -3.6965608 0 -1.662483 0.88908144
|
||||
1000 1.3732016 -3.7100024 0 -1.6504575 0.83982823
|
||||
Loop time of 0.956419 on 8 procs for 1000 steps with 8000 atoms
|
||||
|
||||
Pair time (%) = 0.541827 (56.6516)
|
||||
Neigh time (%) = 0.235903 (24.6653)
|
||||
Comm time (%) = 0.121429 (12.6962)
|
||||
Outpt time (%) = 0.000318199 (0.0332699)
|
||||
Other time (%) = 0.0569417 (5.95364)
|
||||
|
||||
Nlocal: 1000 ave 1020 max 982 min
|
||||
Histogram: 1 0 2 1 0 1 1 1 0 1
|
||||
Nghost: 2299.5 ave 2331 max 2268 min
|
||||
Histogram: 1 1 1 1 0 0 0 3 0 1
|
||||
Neighs: 27122 ave 28382 max 26337 min
|
||||
Histogram: 2 0 2 1 1 0 0 1 0 1
|
||||
|
||||
Total # of neighbors = 216976
|
||||
Ave neighs/atom = 27.122
|
||||
Neighbor list builds = 162
|
||||
Dangerous builds = 0
|
||||
|
||||
velocity all scale $t
|
||||
velocity all scale 1.3500000000000000888
|
||||
|
||||
unfix 1
|
||||
|
||||
# 2nd equilibration run
|
||||
|
||||
compute ke all ke/atom
|
||||
variable temp atom c_ke/1.5
|
||||
|
||||
fix 1 all nve
|
||||
fix 2 all ave/spatial 10 100 1000 z lower 0.05 v_temp file tmp.tcond.profile units reduced
|
||||
fix 3 all thermal/conductivity 10 z 20
|
||||
|
||||
variable tdiff equal f_2[11][3]-f_2[1][3]
|
||||
thermo_style custom step temp epair etotal f_3 v_tdiff
|
||||
|
||||
thermo 1000
|
||||
run 20000
|
||||
Memory usage per processor = 2.15109 Mbytes
|
||||
Step Temp E_pair TotEng 3 tdiff
|
||||
1000 1.35 -3.7100024 -1.6852556 0 0
|
||||
2000 1.3488972 -3.708116 -1.6850231 877.52861 0.25969396
|
||||
3000 1.3658991 -3.735305 -1.6867124 1757.5984 0.40713773
|
||||
4000 1.3660888 -3.7368211 -1.6879441 2599.882 0.63176318
|
||||
5000 1.3702365 -3.7439731 -1.6888753 3417.2012 0.68861496
|
||||
6000 1.3802047 -3.7607288 -1.6906806 4247.6303 0.8258624
|
||||
7000 1.3981219 -3.7883507 -1.69143 5036.1985 0.90753031
|
||||
8000 1.3968279 -3.7880683 -1.6930884 5807.0759 0.99392296
|
||||
9000 1.3960267 -3.7866214 -1.6928431 6584.6398 1.0833481
|
||||
10000 1.4067029 -3.8038141 -1.6940234 7372.3357 1.0359437
|
||||
11000 1.4037578 -3.7984096 -1.6930361 8133.4913 1.0506296
|
||||
12000 1.4112365 -3.8109671 -1.6943769 8908.2356 1.1033313
|
||||
13000 1.4066326 -3.8036805 -1.6939953 9674.5783 1.1492152
|
||||
14000 1.4136249 -3.8155288 -1.6953566 10429.951 1.1101441
|
||||
15000 1.402741 -3.7983064 -1.6944579 11194.927 1.1163151
|
||||
16000 1.412565 -3.8138997 -1.695317 11931.815 1.2199073
|
||||
17000 1.4023686 -3.7975376 -1.6942476 12695.415 1.1800489
|
||||
18000 1.4200941 -3.8257695 -1.6958947 13456.945 1.1583648
|
||||
19000 1.4016117 -3.7972936 -1.6951388 14216.201 1.1846518
|
||||
20000 1.4105524 -3.8113272 -1.6957631 14977.184 1.2831156
|
||||
21000 1.4068217 -3.8054214 -1.6954526 15739.554 1.147926
|
||||
Loop time of 22.7808 on 8 procs for 20000 steps with 8000 atoms
|
||||
|
||||
Pair time (%) = 11.0445 (48.4813)
|
||||
Neigh time (%) = 5.22965 (22.9563)
|
||||
Comm time (%) = 5.51376 (24.2035)
|
||||
Outpt time (%) = 0.000640869 (0.00281319)
|
||||
Other time (%) = 0.99234 (4.35603)
|
||||
|
||||
Nlocal: 1000 ave 1176 max 820 min
|
||||
Histogram: 2 2 0 0 0 0 0 0 2 2
|
||||
Nghost: 2318.88 ave 2663 max 1967 min
|
||||
Histogram: 3 1 0 0 0 0 0 0 2 2
|
||||
Neighs: 27860.2 ave 36167 max 18992 min
|
||||
Histogram: 3 1 0 0 0 0 0 0 0 4
|
||||
|
||||
Total # of neighbors = 222882
|
||||
Ave neighs/atom = 27.8603
|
||||
Neighbor list builds = 3543
|
||||
Dangerous builds = 0
|
||||
|
||||
# thermal conductivity calculation
|
||||
# reset fix thermal/conductivity to zero energy accumulation
|
||||
|
||||
fix 3 all thermal/conductivity 10 z 20
|
||||
|
||||
fix ave all ave/time 1 1 1000 v_tdiff ave running
|
||||
thermo_style custom step temp epair etotal f_3 v_tdiff f_ave
|
||||
|
||||
run 20000
|
||||
Memory usage per processor = 2.34184 Mbytes
|
||||
Step Temp E_pair TotEng 3 tdiff ave
|
||||
21000 1.4068217 -3.8054214 -1.6954526 0 1.147926 1.147926
|
||||
22000 1.3967994 -3.7893902 -1.694453 767.0398 1.1920832 1.1700046
|
||||
23000 1.4170976 -3.822137 -1.6967564 1517.2987 1.1545977 1.164869
|
||||
24000 1.4202355 -3.8249732 -1.6948862 2277.7333 1.1750006 1.1674019
|
||||
25000 1.4205956 -3.8264595 -1.6958326 3028.6456 1.168964 1.1677143
|
||||
26000 1.4105028 -3.8099425 -1.6944527 3771.4445 1.1535799 1.1653586
|
||||
27000 1.4121218 -3.8137079 -1.6957899 4524.007 1.1582776 1.164347
|
||||
28000 1.4073732 -3.8055739 -1.6947781 5297.7257 1.1390419 1.1611839
|
||||
29000 1.3935065 -3.7848004 -1.6948019 6040.6442 1.106954 1.1551583
|
||||
30000 1.4126276 -3.8136783 -1.6950018 6777.7617 1.122798 1.1519223
|
||||
31000 1.4220569 -3.8292934 -1.6964746 7529.6983 1.1517202 1.1519039
|
||||
32000 1.4157206 -3.8184427 -1.6951273 8293.9624 1.1600224 1.1525805
|
||||
33000 1.4300672 -3.8403564 -1.6955237 9056.1085 1.1581575 1.1530095
|
||||
34000 1.4114669 -3.8123726 -1.6954368 9827.2549 1.169357 1.1541771
|
||||
35000 1.4087756 -3.8085583 -1.695659 10582.235 1.254384 1.1608576
|
||||
36000 1.4071234 -3.8063392 -1.695918 11335.664 1.1886748 1.1625962
|
||||
37000 1.4150044 -3.8175559 -1.6953146 12067.647 1.1452763 1.1615774
|
||||
38000 1.4208299 -3.8269499 -1.6959714 12785.237 1.1689649 1.1619878
|
||||
39000 1.4132869 -3.8147648 -1.6950995 13548.517 1.1134294 1.1594321
|
||||
40000 1.4071151 -3.8068479 -1.6964391 14307.339 1.1772366 1.1603223
|
||||
41000 1.4126121 -3.8153948 -1.6967416 15087.11 1.1408062 1.159393
|
||||
Loop time of 23.9428 on 8 procs for 20000 steps with 8000 atoms
|
||||
|
||||
Pair time (%) = 11.1014 (46.3663)
|
||||
Neigh time (%) = 5.36983 (22.4278)
|
||||
Comm time (%) = 6.41641 (26.799)
|
||||
Outpt time (%) = 0.000608236 (0.00254037)
|
||||
Other time (%) = 1.05454 (4.40441)
|
||||
|
||||
Nlocal: 1000 ave 1167 max 820 min
|
||||
Histogram: 3 1 0 0 0 0 0 0 0 4
|
||||
Nghost: 2292.38 ave 2619 max 1989 min
|
||||
Histogram: 4 0 0 0 0 0 0 0 2 2
|
||||
Neighs: 27929.9 ave 37820 max 19105 min
|
||||
Histogram: 4 0 0 0 0 0 0 0 3 1
|
||||
|
||||
Total # of neighbors = 223439
|
||||
Ave neighs/atom = 27.9299
|
||||
Neighbor list builds = 3624
|
||||
Dangerous builds = 0
|
||||
|
|
@ -0,0 +1,423 @@
|
|||
# Spatial-averaged data for fix 2 and group all
|
||||
# Timestep Number-of-bins
|
||||
# Bin Coord Ncount v_temp
|
||||
12000 20
|
||||
1 0.025 316.24 1.7991
|
||||
2 0.075 335.47 1.71187
|
||||
3 0.125 354.95 1.58324
|
||||
4 0.175 376.35 1.4988
|
||||
5 0.225 386.35 1.41589
|
||||
6 0.275 404.99 1.3569
|
||||
7 0.325 412.38 1.30234
|
||||
8 0.375 434.23 1.23781
|
||||
9 0.425 445.11 1.19654
|
||||
10 0.475 462.77 1.15298
|
||||
11 0.525 474.69 1.08165
|
||||
12 0.575 460.27 1.13298
|
||||
13 0.625 447.95 1.20747
|
||||
14 0.675 426.07 1.30013
|
||||
15 0.725 421.65 1.34566
|
||||
16 0.775 403.34 1.37369
|
||||
17 0.825 391.24 1.46729
|
||||
18 0.875 366.6 1.5724
|
||||
19 0.925 348.82 1.62454
|
||||
20 0.975 330.53 1.67713
|
||||
13000 20
|
||||
1 0.025 322.02 1.79961
|
||||
2 0.075 326.8 1.7314
|
||||
3 0.125 357.48 1.59296
|
||||
4 0.175 369.8 1.52588
|
||||
5 0.225 381.99 1.48702
|
||||
6 0.275 404.95 1.41037
|
||||
7 0.325 424.94 1.32162
|
||||
8 0.375 441 1.23702
|
||||
9 0.425 450.27 1.18323
|
||||
10 0.475 465.66 1.13701
|
||||
11 0.525 470.8 1.08891
|
||||
12 0.575 460.65 1.13824
|
||||
13 0.625 444.5 1.20136
|
||||
14 0.675 426.01 1.27742
|
||||
15 0.725 415.77 1.3169
|
||||
16 0.775 401.54 1.39987
|
||||
17 0.825 388.44 1.44388
|
||||
18 0.875 363.44 1.52852
|
||||
19 0.925 349.13 1.5927
|
||||
20 0.975 334.81 1.64284
|
||||
14000 20
|
||||
1 0.025 322.71 1.82286
|
||||
2 0.075 334.65 1.707
|
||||
3 0.125 357.68 1.58129
|
||||
4 0.175 357.75 1.52647
|
||||
5 0.225 375.77 1.45675
|
||||
6 0.275 400.25 1.38582
|
||||
7 0.325 414.57 1.31403
|
||||
8 0.375 438.83 1.20733
|
||||
9 0.425 450.43 1.17205
|
||||
10 0.475 465.07 1.12949
|
||||
11 0.525 473.98 1.08085
|
||||
12 0.575 462.2 1.1278
|
||||
13 0.625 455.34 1.19503
|
||||
14 0.675 431.55 1.2803
|
||||
15 0.725 413.46 1.34788
|
||||
16 0.775 389.84 1.42873
|
||||
17 0.825 388.49 1.45406
|
||||
18 0.875 375.84 1.51526
|
||||
19 0.925 355.36 1.63635
|
||||
20 0.975 336.23 1.68544
|
||||
15000 20
|
||||
1 0.025 313.17 1.82466
|
||||
2 0.075 334.21 1.68159
|
||||
3 0.125 355.27 1.5838
|
||||
4 0.175 363.04 1.55677
|
||||
5 0.225 385.01 1.49792
|
||||
6 0.275 405.64 1.36601
|
||||
7 0.325 427.52 1.31977
|
||||
8 0.375 431.51 1.24392
|
||||
9 0.425 448.03 1.19577
|
||||
10 0.475 475.17 1.13674
|
||||
11 0.525 475.34 1.07685
|
||||
12 0.575 462.38 1.13749
|
||||
13 0.625 448.03 1.1847
|
||||
14 0.675 435.16 1.24759
|
||||
15 0.725 408.72 1.34412
|
||||
16 0.775 400 1.41556
|
||||
17 0.825 379.03 1.49048
|
||||
18 0.875 378.35 1.49907
|
||||
19 0.925 355.04 1.58998
|
||||
20 0.975 319.38 1.7284
|
||||
16000 20
|
||||
1 0.025 309.63 1.83001
|
||||
2 0.075 337.23 1.71292
|
||||
3 0.125 356.33 1.59036
|
||||
4 0.175 369.96 1.52468
|
||||
5 0.225 384.37 1.45873
|
||||
6 0.275 399.9 1.38604
|
||||
7 0.325 421.86 1.30291
|
||||
8 0.375 435.76 1.25582
|
||||
9 0.425 446.97 1.21138
|
||||
10 0.475 463.81 1.12151
|
||||
11 0.525 476.6 1.05918
|
||||
12 0.575 468.46 1.10885
|
||||
13 0.625 451 1.19109
|
||||
14 0.675 439.46 1.24176
|
||||
15 0.725 415.72 1.3362
|
||||
16 0.775 398.51 1.43074
|
||||
17 0.825 382.96 1.49337
|
||||
18 0.875 371.33 1.54314
|
||||
19 0.925 343.89 1.63496
|
||||
20 0.975 326.25 1.73239
|
||||
17000 20
|
||||
1 0.025 311.65 1.81508
|
||||
2 0.075 324.76 1.74861
|
||||
3 0.125 348.74 1.63634
|
||||
4 0.175 368.52 1.55294
|
||||
5 0.225 382.8 1.47372
|
||||
6 0.275 408.38 1.38139
|
||||
7 0.325 423.73 1.31148
|
||||
8 0.375 440.96 1.25025
|
||||
9 0.425 455.82 1.21015
|
||||
10 0.475 464.77 1.13913
|
||||
11 0.525 479.77 1.0696
|
||||
12 0.575 469.29 1.11767
|
||||
13 0.625 450.53 1.20031
|
||||
14 0.675 438.71 1.24813
|
||||
15 0.725 419.39 1.31178
|
||||
16 0.775 394.15 1.42113
|
||||
17 0.825 372.82 1.48582
|
||||
18 0.875 361.25 1.54824
|
||||
19 0.925 351.15 1.63552
|
||||
20 0.975 332.81 1.71772
|
||||
18000 20
|
||||
1 0.025 320.07 1.84117
|
||||
2 0.075 325.74 1.67351
|
||||
3 0.125 354.58 1.60689
|
||||
4 0.175 373.07 1.54161
|
||||
5 0.225 385.5 1.45691
|
||||
6 0.275 405.6 1.41448
|
||||
7 0.325 423.57 1.32719
|
||||
8 0.375 438.14 1.26244
|
||||
9 0.425 454.43 1.16702
|
||||
10 0.475 469.29 1.10267
|
||||
11 0.525 474.07 1.07589
|
||||
12 0.575 461.56 1.1246
|
||||
13 0.625 460.36 1.17174
|
||||
14 0.675 432.91 1.24694
|
||||
15 0.725 420.68 1.30649
|
||||
16 0.775 398.18 1.41355
|
||||
17 0.825 371.48 1.51261
|
||||
18 0.875 364.76 1.53868
|
||||
19 0.925 345.82 1.64374
|
||||
20 0.975 320.19 1.75
|
||||
19000 20
|
||||
1 0.025 313.94 1.84728
|
||||
2 0.075 332.75 1.70764
|
||||
3 0.125 347.71 1.61354
|
||||
4 0.175 373.3 1.54998
|
||||
5 0.225 391.27 1.41568
|
||||
6 0.275 394.95 1.41092
|
||||
7 0.325 421.07 1.32536
|
||||
8 0.375 435.21 1.23885
|
||||
9 0.425 451.62 1.16185
|
||||
10 0.475 467.58 1.11001
|
||||
11 0.525 477.55 1.06091
|
||||
12 0.575 466.06 1.13243
|
||||
13 0.625 451.38 1.19133
|
||||
14 0.675 435.16 1.256
|
||||
15 0.725 424.18 1.32373
|
||||
16 0.775 394.12 1.39772
|
||||
17 0.825 383.51 1.52333
|
||||
18 0.875 362.54 1.59792
|
||||
19 0.925 351.33 1.62177
|
||||
20 0.975 324.77 1.69392
|
||||
20000 20
|
||||
1 0.025 302.61 1.87071
|
||||
2 0.075 325.37 1.71513
|
||||
3 0.125 358.83 1.60992
|
||||
4 0.175 368.88 1.55082
|
||||
5 0.225 383 1.47826
|
||||
6 0.275 408.27 1.38975
|
||||
7 0.325 431.33 1.29502
|
||||
8 0.375 439.36 1.25599
|
||||
9 0.425 449.19 1.20112
|
||||
10 0.475 469.86 1.15226
|
||||
11 0.525 476.66 1.0915
|
||||
12 0.575 463.08 1.15199
|
||||
13 0.625 451.09 1.19814
|
||||
14 0.675 439.33 1.23801
|
||||
15 0.725 417.64 1.32142
|
||||
16 0.775 410.7 1.37561
|
||||
17 0.825 383.83 1.4693
|
||||
18 0.875 360.67 1.585
|
||||
19 0.925 342.87 1.62574
|
||||
20 0.975 317.43 1.74096
|
||||
21000 20
|
||||
1 0.025 305.34 1.89432
|
||||
2 0.075 323.93 1.76865
|
||||
3 0.125 355.78 1.60016
|
||||
4 0.175 362.26 1.53564
|
||||
5 0.225 386.24 1.44494
|
||||
6 0.275 404.24 1.35947
|
||||
7 0.325 424.25 1.27593
|
||||
8 0.375 435.95 1.23369
|
||||
9 0.425 451.31 1.19057
|
||||
10 0.475 466.94 1.13832
|
||||
11 0.525 473.74 1.07268
|
||||
12 0.575 472.61 1.13364
|
||||
13 0.625 455.6 1.1568
|
||||
14 0.675 435.34 1.28264
|
||||
15 0.725 413.65 1.33806
|
||||
16 0.775 410.03 1.36447
|
||||
17 0.825 386.17 1.46546
|
||||
18 0.875 367.83 1.57944
|
||||
19 0.925 344.89 1.6976
|
||||
20 0.975 323.9 1.78248
|
||||
22000 20
|
||||
1 0.025 299.32 1.92283
|
||||
2 0.075 323.96 1.75077
|
||||
3 0.125 345.92 1.64551
|
||||
4 0.175 369.45 1.57258
|
||||
5 0.225 386.08 1.48961
|
||||
6 0.275 412.29 1.37131
|
||||
7 0.325 423.01 1.33146
|
||||
8 0.375 440.07 1.24316
|
||||
9 0.425 453.91 1.20694
|
||||
10 0.475 469.51 1.13414
|
||||
11 0.525 476.67 1.07706
|
||||
12 0.575 477.25 1.10808
|
||||
13 0.625 449.62 1.17667
|
||||
14 0.675 439.09 1.24446
|
||||
15 0.725 411.96 1.33123
|
||||
16 0.775 403.28 1.36365
|
||||
17 0.825 391.7 1.43045
|
||||
18 0.875 366.92 1.52773
|
||||
19 0.925 342.01 1.67674
|
||||
20 0.975 317.98 1.77468
|
||||
23000 20
|
||||
1 0.025 308.05 1.86309
|
||||
2 0.075 326.96 1.76239
|
||||
3 0.125 338.32 1.64384
|
||||
4 0.175 366.46 1.5131
|
||||
5 0.225 390.36 1.45004
|
||||
6 0.275 405.38 1.34578
|
||||
7 0.325 418.79 1.30689
|
||||
8 0.375 427.89 1.2679
|
||||
9 0.425 455.94 1.17259
|
||||
10 0.475 468.69 1.11374
|
||||
11 0.525 479.28 1.08004
|
||||
12 0.575 464.2 1.15053
|
||||
13 0.625 452.61 1.1975
|
||||
14 0.675 449.37 1.22852
|
||||
15 0.725 429.03 1.29941
|
||||
16 0.775 405.86 1.39294
|
||||
17 0.825 385.43 1.48969
|
||||
18 0.875 359.16 1.61318
|
||||
19 0.925 344.28 1.66913
|
||||
20 0.975 323.94 1.77977
|
||||
24000 20
|
||||
1 0.025 306.32 1.87553
|
||||
2 0.075 329.26 1.71626
|
||||
3 0.125 339.85 1.65482
|
||||
4 0.175 369.13 1.56671
|
||||
5 0.225 390.18 1.45633
|
||||
6 0.275 407.61 1.40482
|
||||
7 0.325 420.75 1.34009
|
||||
8 0.375 439.28 1.2649
|
||||
9 0.425 452.58 1.19278
|
||||
10 0.475 470.07 1.11414
|
||||
11 0.525 477.1 1.06155
|
||||
12 0.575 464.79 1.13127
|
||||
13 0.625 451.76 1.19502
|
||||
14 0.675 440.68 1.23702
|
||||
15 0.725 420.97 1.30319
|
||||
16 0.775 391.92 1.41824
|
||||
17 0.825 384.2 1.46282
|
||||
18 0.875 365.26 1.53249
|
||||
19 0.925 349.34 1.62787
|
||||
20 0.975 328.95 1.70358
|
||||
25000 20
|
||||
1 0.025 315.82 1.84266
|
||||
2 0.075 320.47 1.75369
|
||||
3 0.125 334.41 1.68634
|
||||
4 0.175 365.2 1.50814
|
||||
5 0.225 390.38 1.43699
|
||||
6 0.275 397.81 1.39552
|
||||
7 0.325 413.94 1.33007
|
||||
8 0.375 433.77 1.23561
|
||||
9 0.425 456.38 1.15045
|
||||
10 0.475 468.54 1.08428
|
||||
11 0.525 479.48 1.06292
|
||||
12 0.575 468.39 1.13849
|
||||
13 0.625 447.19 1.20266
|
||||
14 0.675 433.04 1.25963
|
||||
15 0.725 427.77 1.30825
|
||||
16 0.775 406.65 1.40073
|
||||
17 0.825 379.96 1.49724
|
||||
18 0.875 372.71 1.55968
|
||||
19 0.925 357.66 1.61502
|
||||
20 0.975 330.43 1.74857
|
||||
26000 20
|
||||
1 0.025 308.77 1.82549
|
||||
2 0.075 313.87 1.79523
|
||||
3 0.125 341.3 1.70796
|
||||
4 0.175 371.42 1.53349
|
||||
5 0.225 388.63 1.46405
|
||||
6 0.275 402.72 1.40514
|
||||
7 0.325 417.24 1.35131
|
||||
8 0.375 439.12 1.26317
|
||||
9 0.425 451.08 1.19559
|
||||
10 0.475 471.23 1.11123
|
||||
11 0.525 476.5 1.07996
|
||||
12 0.575 464.45 1.14307
|
||||
13 0.625 447.53 1.17451
|
||||
14 0.675 444.16 1.2359
|
||||
15 0.725 424.15 1.27788
|
||||
16 0.775 407.2 1.37362
|
||||
17 0.825 381.57 1.48601
|
||||
18 0.875 367.88 1.53733
|
||||
19 0.925 352.79 1.57621
|
||||
20 0.975 328.39 1.68834
|
||||
27000 20
|
||||
1 0.025 318.89 1.87899
|
||||
2 0.075 324.03 1.766
|
||||
3 0.125 337.63 1.64355
|
||||
4 0.175 366.57 1.49842
|
||||
5 0.225 381.28 1.44219
|
||||
6 0.275 396.75 1.39992
|
||||
7 0.325 413.96 1.30484
|
||||
8 0.375 429.87 1.25291
|
||||
9 0.425 450.54 1.17987
|
||||
10 0.475 467.69 1.13602
|
||||
11 0.525 483.43 1.06464
|
||||
12 0.575 467.92 1.13093
|
||||
13 0.625 453.32 1.17471
|
||||
14 0.675 439.8 1.24222
|
||||
15 0.725 425.4 1.29918
|
||||
16 0.775 402.62 1.38014
|
||||
17 0.825 392.05 1.46654
|
||||
18 0.875 370.49 1.56452
|
||||
19 0.925 349.49 1.63544
|
||||
20 0.975 328.27 1.79302
|
||||
28000 20
|
||||
1 0.025 308.2 1.87225
|
||||
2 0.075 326.7 1.74833
|
||||
3 0.125 348.48 1.65529
|
||||
4 0.175 364.1 1.57477
|
||||
5 0.225 385.92 1.50328
|
||||
6 0.275 415.41 1.37336
|
||||
7 0.325 420.59 1.35423
|
||||
8 0.375 428.78 1.28715
|
||||
9 0.425 453.04 1.17836
|
||||
10 0.475 469.27 1.1166
|
||||
11 0.525 481.93 1.06535
|
||||
12 0.575 475.47 1.09077
|
||||
13 0.625 449.1 1.18339
|
||||
14 0.675 434.62 1.24858
|
||||
15 0.725 423.59 1.31672
|
||||
16 0.775 403.47 1.37406
|
||||
17 0.825 387.42 1.42833
|
||||
18 0.875 364.32 1.5369
|
||||
19 0.925 338.71 1.64762
|
||||
20 0.975 320.88 1.72584
|
||||
29000 20
|
||||
1 0.025 310.25 1.86645
|
||||
2 0.075 323 1.751
|
||||
3 0.125 340.57 1.65127
|
||||
4 0.175 358.61 1.54155
|
||||
5 0.225 386.94 1.45452
|
||||
6 0.275 399.72 1.3649
|
||||
7 0.325 421 1.30267
|
||||
8 0.375 435.11 1.24245
|
||||
9 0.425 454.35 1.17458
|
||||
10 0.475 473.71 1.10974
|
||||
11 0.525 483.74 1.05201
|
||||
12 0.575 470.63 1.10897
|
||||
13 0.625 450.47 1.18055
|
||||
14 0.675 442.99 1.23774
|
||||
15 0.725 421.84 1.32719
|
||||
16 0.775 400.24 1.40641
|
||||
17 0.825 382.09 1.49484
|
||||
18 0.875 372.18 1.59513
|
||||
19 0.925 348.46 1.67826
|
||||
20 0.975 324.1 1.81963
|
||||
30000 20
|
||||
1 0.025 315.51 1.86442
|
||||
2 0.075 328.3 1.73748
|
||||
3 0.125 347.56 1.6834
|
||||
4 0.175 369.7 1.54545
|
||||
5 0.225 385.64 1.47201
|
||||
6 0.275 399.23 1.4087
|
||||
7 0.325 426.44 1.31367
|
||||
8 0.375 439.95 1.2409
|
||||
9 0.425 459.53 1.17809
|
||||
10 0.475 466.74 1.116
|
||||
11 0.525 480.23 1.06621
|
||||
12 0.575 465.56 1.13085
|
||||
13 0.625 451.46 1.19613
|
||||
14 0.675 442.2 1.23394
|
||||
15 0.725 428.08 1.31714
|
||||
16 0.775 398.56 1.38435
|
||||
17 0.825 380.33 1.46149
|
||||
18 0.875 360.8 1.55045
|
||||
19 0.925 336.29 1.68763
|
||||
20 0.975 317.89 1.75828
|
||||
31000 20
|
||||
1 0.025 299.65 1.87028
|
||||
2 0.075 327.12 1.70989
|
||||
3 0.125 352.06 1.62471
|
||||
4 0.175 367.02 1.57714
|
||||
5 0.225 392.06 1.4507
|
||||
6 0.275 395.16 1.41546
|
||||
7 0.325 420.62 1.32139
|
||||
8 0.375 445.2 1.24171
|
||||
9 0.425 458.34 1.17303
|
||||
10 0.475 470.53 1.12185
|
||||
11 0.525 477.91 1.06416
|
||||
12 0.575 461.54 1.12492
|
||||
13 0.625 452.13 1.17521
|
||||
14 0.675 437.47 1.27358
|
||||
15 0.725 420.32 1.32447
|
||||
16 0.775 412.9 1.3741
|
||||
17 0.825 381.01 1.48653
|
||||
18 0.875 366 1.56368
|
||||
19 0.925 338.14 1.67359
|
||||
20 0.975 324.82 1.74816
|
||||
File diff suppressed because it is too large
Load Diff
|
|
@ -0,0 +1,423 @@
|
|||
# Spatial-averaged data for fix 2 and group all
|
||||
# Timestep Number-of-bins
|
||||
# Bin Coord Ncount v_temp
|
||||
12000 20
|
||||
1 0.025 322.41 1.61608
|
||||
2 0.075 340.11 1.5489
|
||||
3 0.125 359.13 1.54114
|
||||
4 0.175 375.37 1.40566
|
||||
5 0.225 383.97 1.37689
|
||||
6 0.275 402.09 1.31327
|
||||
7 0.325 425.3 1.22863
|
||||
8 0.375 435.83 1.18041
|
||||
9 0.425 452.24 1.11888
|
||||
10 0.475 464.49 1.10233
|
||||
11 0.525 467.18 1.07496
|
||||
12 0.575 449.45 1.13298
|
||||
13 0.625 449.31 1.17584
|
||||
14 0.675 435.24 1.21186
|
||||
15 0.725 416.33 1.2987
|
||||
16 0.775 402.94 1.35092
|
||||
17 0.825 386.52 1.42086
|
||||
18 0.875 361.22 1.50482
|
||||
19 0.925 339.46 1.58791
|
||||
20 0.975 331.41 1.60262
|
||||
13000 20
|
||||
1 0.025 324.28 1.63657
|
||||
2 0.075 339.8 1.63037
|
||||
3 0.125 365.98 1.55066
|
||||
4 0.175 382.35 1.4425
|
||||
5 0.225 393.81 1.40963
|
||||
6 0.275 408.56 1.34915
|
||||
7 0.325 427.14 1.26625
|
||||
8 0.375 441.7 1.19722
|
||||
9 0.425 455.27 1.15513
|
||||
10 0.475 465.09 1.13175
|
||||
11 0.525 465.72 1.06006
|
||||
12 0.575 459.42 1.10983
|
||||
13 0.625 446.15 1.16057
|
||||
14 0.675 427.01 1.20354
|
||||
15 0.725 411.26 1.24742
|
||||
16 0.775 393.97 1.28079
|
||||
17 0.825 366.21 1.40269
|
||||
18 0.875 358.82 1.44284
|
||||
19 0.925 336.65 1.56282
|
||||
20 0.975 330.81 1.58236
|
||||
14000 20
|
||||
1 0.025 335.08 1.5858
|
||||
2 0.075 349.01 1.52817
|
||||
3 0.125 359.9 1.46366
|
||||
4 0.175 375.24 1.4006
|
||||
5 0.225 387.91 1.3524
|
||||
6 0.275 399.78 1.27892
|
||||
7 0.325 426.12 1.21528
|
||||
8 0.375 431.5 1.18099
|
||||
9 0.425 450.12 1.12141
|
||||
10 0.475 461.56 1.08753
|
||||
11 0.525 475.83 1.05034
|
||||
12 0.575 462.83 1.10348
|
||||
13 0.625 449.86 1.12688
|
||||
14 0.675 431.68 1.20161
|
||||
15 0.725 412.22 1.26715
|
||||
16 0.775 382.98 1.36534
|
||||
17 0.825 370.92 1.40152
|
||||
18 0.875 361.14 1.44214
|
||||
19 0.925 342.95 1.51768
|
||||
20 0.975 333.37 1.5455
|
||||
15000 20
|
||||
1 0.025 328.49 1.59288
|
||||
2 0.075 336.13 1.53011
|
||||
3 0.125 355.53 1.45366
|
||||
4 0.175 369.37 1.42272
|
||||
5 0.225 402.95 1.3058
|
||||
6 0.275 408.14 1.2661
|
||||
7 0.325 425.71 1.21905
|
||||
8 0.375 439.21 1.16032
|
||||
9 0.425 447.46 1.13619
|
||||
10 0.475 462.13 1.07576
|
||||
11 0.525 465.56 1.03528
|
||||
12 0.575 456.95 1.08528
|
||||
13 0.625 447.89 1.12736
|
||||
14 0.675 431.66 1.18613
|
||||
15 0.725 412.56 1.24419
|
||||
16 0.775 383.49 1.35598
|
||||
17 0.825 370.95 1.4148
|
||||
18 0.875 369.59 1.39879
|
||||
19 0.925 353.22 1.46084
|
||||
20 0.975 333.01 1.58444
|
||||
16000 20
|
||||
1 0.025 325.98 1.62331
|
||||
2 0.075 333.18 1.57003
|
||||
3 0.125 356.7 1.47817
|
||||
4 0.175 383.28 1.38461
|
||||
5 0.225 394.1 1.33834
|
||||
6 0.275 409.23 1.26881
|
||||
7 0.325 420.41 1.18593
|
||||
8 0.375 435.94 1.18046
|
||||
9 0.425 448.63 1.14837
|
||||
10 0.475 458.86 1.09449
|
||||
11 0.525 471.69 1.0681
|
||||
12 0.575 462.64 1.11052
|
||||
13 0.625 449.92 1.12972
|
||||
14 0.675 430.97 1.19934
|
||||
15 0.725 414.67 1.26479
|
||||
16 0.775 393.82 1.33083
|
||||
17 0.825 377.87 1.39288
|
||||
18 0.875 364.83 1.44109
|
||||
19 0.925 341.87 1.48046
|
||||
20 0.975 325.41 1.55417
|
||||
17000 20
|
||||
1 0.025 325.64 1.60234
|
||||
2 0.075 350.41 1.53888
|
||||
3 0.125 359.69 1.51565
|
||||
4 0.175 378.02 1.43367
|
||||
5 0.225 390.79 1.36797
|
||||
6 0.275 409.45 1.29713
|
||||
7 0.325 426.02 1.24133
|
||||
8 0.375 437.32 1.18962
|
||||
9 0.425 458.55 1.12588
|
||||
10 0.475 462.86 1.10363
|
||||
11 0.525 464.78 1.06504
|
||||
12 0.575 463.43 1.08896
|
||||
13 0.625 446.78 1.11495
|
||||
14 0.675 426.2 1.1878
|
||||
15 0.725 413.09 1.22922
|
||||
16 0.775 393.49 1.33506
|
||||
17 0.825 378.97 1.36747
|
||||
18 0.875 354.13 1.44348
|
||||
19 0.925 331.26 1.5137
|
||||
20 0.975 329.12 1.54856
|
||||
18000 20
|
||||
1 0.025 324.25 1.61576
|
||||
2 0.075 346.35 1.52835
|
||||
3 0.125 364.8 1.47024
|
||||
4 0.175 378.52 1.41093
|
||||
5 0.225 391.48 1.36155
|
||||
6 0.275 397.58 1.3316
|
||||
7 0.325 432.39 1.23092
|
||||
8 0.375 436.71 1.17068
|
||||
9 0.425 447.23 1.12656
|
||||
10 0.475 463.1 1.09141
|
||||
11 0.525 461.26 1.05665
|
||||
12 0.575 462.26 1.07267
|
||||
13 0.625 442.59 1.14603
|
||||
14 0.675 423.27 1.23781
|
||||
15 0.725 415.23 1.24987
|
||||
16 0.775 408.04 1.29115
|
||||
17 0.825 383.91 1.35256
|
||||
18 0.875 360.67 1.48344
|
||||
19 0.925 342.45 1.53781
|
||||
20 0.975 317.91 1.63069
|
||||
19000 20
|
||||
1 0.025 320.61 1.62393
|
||||
2 0.075 339.44 1.52285
|
||||
3 0.125 362.07 1.45191
|
||||
4 0.175 376.56 1.40343
|
||||
5 0.225 390.01 1.33113
|
||||
6 0.275 404.02 1.28961
|
||||
7 0.325 422.55 1.22908
|
||||
8 0.375 439.6 1.16955
|
||||
9 0.425 442.99 1.14317
|
||||
10 0.475 462.22 1.07943
|
||||
11 0.525 470.97 1.06674
|
||||
12 0.575 457.32 1.09179
|
||||
13 0.625 445.25 1.14374
|
||||
14 0.675 429.02 1.2072
|
||||
15 0.725 414.52 1.26594
|
||||
16 0.775 400.16 1.31049
|
||||
17 0.825 393.07 1.37975
|
||||
18 0.875 364.19 1.44475
|
||||
19 0.925 344.31 1.48464
|
||||
20 0.975 321.12 1.6002
|
||||
20000 20
|
||||
1 0.025 317.99 1.63977
|
||||
2 0.075 339.75 1.57613
|
||||
3 0.125 355.59 1.47119
|
||||
4 0.175 372.11 1.45637
|
||||
5 0.225 390.31 1.31847
|
||||
6 0.275 409.08 1.26609
|
||||
7 0.325 427.94 1.19677
|
||||
8 0.375 434.87 1.18456
|
||||
9 0.425 448.81 1.13166
|
||||
10 0.475 459.68 1.08148
|
||||
11 0.525 472.54 1.03183
|
||||
12 0.575 456.23 1.07033
|
||||
13 0.625 439.98 1.12271
|
||||
14 0.675 433.12 1.19615
|
||||
15 0.725 420.58 1.23198
|
||||
16 0.775 400 1.29113
|
||||
17 0.825 384.71 1.37703
|
||||
18 0.875 365.48 1.45423
|
||||
19 0.925 338.9 1.54507
|
||||
20 0.975 332.33 1.62396
|
||||
21000 20
|
||||
1 0.025 314.19 1.66188
|
||||
2 0.075 325 1.581
|
||||
3 0.125 354.26 1.49861
|
||||
4 0.175 381.58 1.38852
|
||||
5 0.225 392.79 1.33438
|
||||
6 0.275 416.71 1.27393
|
||||
7 0.325 420.91 1.21721
|
||||
8 0.375 436.63 1.20865
|
||||
9 0.425 448.64 1.1594
|
||||
10 0.475 474.08 1.06218
|
||||
11 0.525 472.37 1.05386
|
||||
12 0.575 465.29 1.071
|
||||
13 0.625 441.84 1.17753
|
||||
14 0.675 429.38 1.21075
|
||||
15 0.725 420.5 1.24291
|
||||
16 0.775 406.15 1.27048
|
||||
17 0.825 374.12 1.35235
|
||||
18 0.875 359.71 1.4218
|
||||
19 0.925 340.3 1.51019
|
||||
20 0.975 325.55 1.57107
|
||||
22000 20
|
||||
1 0.025 327.41 1.63661
|
||||
2 0.075 342.51 1.55726
|
||||
3 0.125 348.84 1.51325
|
||||
4 0.175 372.07 1.44093
|
||||
5 0.225 393.1 1.35706
|
||||
6 0.275 413.36 1.26222
|
||||
7 0.325 422.25 1.22997
|
||||
8 0.375 435.65 1.17948
|
||||
9 0.425 451.39 1.11764
|
||||
10 0.475 471.83 1.0446
|
||||
11 0.525 464.2 1.04647
|
||||
12 0.575 453 1.09237
|
||||
13 0.625 442.19 1.13496
|
||||
14 0.675 431.58 1.17323
|
||||
15 0.725 414.94 1.2278
|
||||
16 0.775 402.96 1.2686
|
||||
17 0.825 383.83 1.34991
|
||||
18 0.875 361.55 1.42521
|
||||
19 0.925 339.22 1.52635
|
||||
20 0.975 328.12 1.57594
|
||||
23000 20
|
||||
1 0.025 318.94 1.58584
|
||||
2 0.075 341.4 1.49252
|
||||
3 0.125 345.12 1.51117
|
||||
4 0.175 366.02 1.42471
|
||||
5 0.225 382.17 1.33713
|
||||
6 0.275 415.76 1.26158
|
||||
7 0.325 431.43 1.21738
|
||||
8 0.375 436.93 1.19923
|
||||
9 0.425 445.28 1.15434
|
||||
10 0.475 466.51 1.08135
|
||||
11 0.525 476 1.05684
|
||||
12 0.575 460.69 1.11685
|
||||
13 0.625 447.43 1.15638
|
||||
14 0.675 430.28 1.197
|
||||
15 0.725 429.26 1.25879
|
||||
16 0.775 407.06 1.33127
|
||||
17 0.825 384.98 1.37727
|
||||
18 0.875 358.39 1.4375
|
||||
19 0.925 337.67 1.53621
|
||||
20 0.975 318.68 1.55183
|
||||
24000 20
|
||||
1 0.025 324.68 1.6529
|
||||
2 0.075 342.57 1.56235
|
||||
3 0.125 349.43 1.47858
|
||||
4 0.175 371.58 1.41972
|
||||
5 0.225 395.74 1.35553
|
||||
6 0.275 414.79 1.26589
|
||||
7 0.325 427.96 1.2413
|
||||
8 0.375 433.08 1.18809
|
||||
9 0.425 444.21 1.14696
|
||||
10 0.475 456.95 1.09697
|
||||
11 0.525 463.86 1.07852
|
||||
12 0.575 450.56 1.13171
|
||||
13 0.625 440.91 1.14597
|
||||
14 0.675 441.24 1.162
|
||||
15 0.725 418.9 1.24659
|
||||
16 0.775 399.39 1.32475
|
||||
17 0.825 386.62 1.38692
|
||||
18 0.875 366.77 1.41326
|
||||
19 0.925 345.51 1.53255
|
||||
20 0.975 325.25 1.61025
|
||||
25000 20
|
||||
1 0.025 329.81 1.62473
|
||||
2 0.075 335.34 1.58184
|
||||
3 0.125 368.17 1.43615
|
||||
4 0.175 369.75 1.40004
|
||||
5 0.225 395.81 1.33887
|
||||
6 0.275 416.3 1.24851
|
||||
7 0.325 416.37 1.22877
|
||||
8 0.375 429.7 1.16082
|
||||
9 0.425 446.34 1.13625
|
||||
10 0.475 458.12 1.11344
|
||||
11 0.525 462.51 1.06786
|
||||
12 0.575 454.74 1.11851
|
||||
13 0.625 447.95 1.14247
|
||||
14 0.675 433.71 1.16503
|
||||
15 0.725 415.5 1.22818
|
||||
16 0.775 404.17 1.2756
|
||||
17 0.825 384.17 1.35423
|
||||
18 0.875 363.96 1.41355
|
||||
19 0.925 336.47 1.52167
|
||||
20 0.975 331.11 1.5777
|
||||
26000 20
|
||||
1 0.025 317 1.63303
|
||||
2 0.075 323.76 1.53358
|
||||
3 0.125 351.99 1.45469
|
||||
4 0.175 376.2 1.38708
|
||||
5 0.225 388.16 1.35252
|
||||
6 0.275 409 1.24771
|
||||
7 0.325 417.49 1.19268
|
||||
8 0.375 438.5 1.15792
|
||||
9 0.425 441.6 1.15615
|
||||
10 0.475 462.96 1.10858
|
||||
11 0.525 468.01 1.06007
|
||||
12 0.575 459.34 1.09645
|
||||
13 0.625 446.57 1.14385
|
||||
14 0.675 435.59 1.21075
|
||||
15 0.725 425.54 1.24699
|
||||
16 0.775 407.21 1.28475
|
||||
17 0.825 378.5 1.40384
|
||||
18 0.875 367.33 1.45098
|
||||
19 0.925 354.87 1.49763
|
||||
20 0.975 330.38 1.6027
|
||||
27000 20
|
||||
1 0.025 314.54 1.64922
|
||||
2 0.075 332.55 1.56917
|
||||
3 0.125 349.17 1.49169
|
||||
4 0.175 367.76 1.39901
|
||||
5 0.225 387.6 1.36429
|
||||
6 0.275 412.77 1.2938
|
||||
7 0.325 427.48 1.22629
|
||||
8 0.375 437.58 1.20882
|
||||
9 0.425 445.59 1.16856
|
||||
10 0.475 457.19 1.11288
|
||||
11 0.525 468.3 1.06077
|
||||
12 0.575 461 1.11295
|
||||
13 0.625 445.88 1.15549
|
||||
14 0.675 428.56 1.21279
|
||||
15 0.725 422.92 1.24416
|
||||
16 0.775 407.65 1.30656
|
||||
17 0.825 387.61 1.37323
|
||||
18 0.875 361.35 1.42226
|
||||
19 0.925 345.65 1.54892
|
||||
20 0.975 338.85 1.59788
|
||||
28000 20
|
||||
1 0.025 318.16 1.67732
|
||||
2 0.075 333.36 1.53972
|
||||
3 0.125 366.78 1.44591
|
||||
4 0.175 370.51 1.42006
|
||||
5 0.225 387.14 1.36633
|
||||
6 0.275 408.46 1.29218
|
||||
7 0.325 424.75 1.24861
|
||||
8 0.375 443.2 1.16188
|
||||
9 0.425 445.13 1.16355
|
||||
10 0.475 457.29 1.10405
|
||||
11 0.525 469.16 1.05567
|
||||
12 0.575 455.16 1.10352
|
||||
13 0.625 437.11 1.16003
|
||||
14 0.675 431.04 1.19758
|
||||
15 0.725 427.53 1.20707
|
||||
16 0.775 401.19 1.31146
|
||||
17 0.825 380.7 1.37414
|
||||
18 0.875 369.19 1.43267
|
||||
19 0.925 343.29 1.49784
|
||||
20 0.975 330.85 1.56307
|
||||
29000 20
|
||||
1 0.025 319.74 1.61049
|
||||
2 0.075 339.32 1.51461
|
||||
3 0.125 360.83 1.45119
|
||||
4 0.175 372.3 1.41495
|
||||
5 0.225 385.41 1.37096
|
||||
6 0.275 406.06 1.2853
|
||||
7 0.325 420 1.22837
|
||||
8 0.375 431.5 1.1883
|
||||
9 0.425 438.11 1.14108
|
||||
10 0.475 460.97 1.08234
|
||||
11 0.525 469.5 1.06443
|
||||
12 0.575 463.07 1.08469
|
||||
13 0.625 443.37 1.1273
|
||||
14 0.675 432.44 1.18371
|
||||
15 0.725 408.04 1.2526
|
||||
16 0.775 400.42 1.30247
|
||||
17 0.825 392.23 1.35049
|
||||
18 0.875 368.33 1.42343
|
||||
19 0.925 353.08 1.49762
|
||||
20 0.975 335.28 1.57338
|
||||
30000 20
|
||||
1 0.025 319.25 1.63185
|
||||
2 0.075 335.98 1.52376
|
||||
3 0.125 351.34 1.48962
|
||||
4 0.175 373.04 1.40162
|
||||
5 0.225 386.06 1.36383
|
||||
6 0.275 406.43 1.31359
|
||||
7 0.325 420.56 1.24932
|
||||
8 0.375 434.58 1.20752
|
||||
9 0.425 443.76 1.14213
|
||||
10 0.475 457.61 1.08207
|
||||
11 0.525 462.15 1.0445
|
||||
12 0.575 460.32 1.09077
|
||||
13 0.625 441.83 1.14044
|
||||
14 0.675 431.51 1.18207
|
||||
15 0.725 421.13 1.22412
|
||||
16 0.775 402.83 1.31048
|
||||
17 0.825 385.57 1.35449
|
||||
18 0.875 374.26 1.40685
|
||||
19 0.925 352.37 1.47889
|
||||
20 0.975 339.42 1.55217
|
||||
31000 20
|
||||
1 0.025 315.93 1.63488
|
||||
2 0.075 337.73 1.57538
|
||||
3 0.125 352.69 1.50485
|
||||
4 0.175 375.27 1.4327
|
||||
5 0.225 393.77 1.32918
|
||||
6 0.275 398.5 1.29277
|
||||
7 0.325 414.42 1.24312
|
||||
8 0.375 432.99 1.17913
|
||||
9 0.425 447.83 1.13672
|
||||
10 0.475 458.98 1.09398
|
||||
11 0.525 471.44 1.05763
|
||||
12 0.575 455.42 1.09608
|
||||
13 0.625 442.81 1.13777
|
||||
14 0.675 435.05 1.19978
|
||||
15 0.725 416.08 1.22521
|
||||
16 0.775 410.84 1.29519
|
||||
17 0.825 385.38 1.40558
|
||||
18 0.875 367.11 1.41556
|
||||
19 0.925 350.5 1.47416
|
||||
20 0.975 337.26 1.55729
|
||||
|
|
@ -0,0 +1,843 @@
|
|||
# Spatial-averaged data for fix 2 and group all
|
||||
# Timestep Number-of-bins
|
||||
# Bin Coord Ncount v_temp
|
||||
2000 20
|
||||
1 0.025 408.19 1.23094
|
||||
2 0.075 408.64 1.28547
|
||||
3 0.125 402.61 1.31096
|
||||
4 0.175 399.07 1.34667
|
||||
5 0.225 401.91 1.3233
|
||||
6 0.275 407.13 1.30466
|
||||
7 0.325 402.81 1.33426
|
||||
8 0.375 398.84 1.39823
|
||||
9 0.425 403.7 1.38538
|
||||
10 0.475 394.63 1.40398
|
||||
11 0.525 379.14 1.49064
|
||||
12 0.575 388.25 1.42761
|
||||
13 0.625 397.15 1.40794
|
||||
14 0.675 397.51 1.38329
|
||||
15 0.725 405.96 1.3403
|
||||
16 0.775 402 1.34272
|
||||
17 0.825 399.95 1.35834
|
||||
18 0.875 397.38 1.33209
|
||||
19 0.925 397.59 1.32846
|
||||
20 0.975 407.54 1.29748
|
||||
3000 20
|
||||
1 0.025 439.11 1.18126
|
||||
2 0.075 431.31 1.23972
|
||||
3 0.125 415.45 1.33353
|
||||
4 0.175 410.98 1.33609
|
||||
5 0.225 410.85 1.33499
|
||||
6 0.275 402.98 1.36129
|
||||
7 0.325 402.98 1.35413
|
||||
8 0.375 396 1.40962
|
||||
9 0.425 388.02 1.4152
|
||||
10 0.475 364.5 1.48249
|
||||
11 0.525 349.37 1.5884
|
||||
12 0.575 363.96 1.51626
|
||||
13 0.625 374.78 1.44185
|
||||
14 0.675 374.66 1.39171
|
||||
15 0.725 397.21 1.33262
|
||||
16 0.775 408.14 1.3466
|
||||
17 0.825 405.26 1.32541
|
||||
18 0.875 417.88 1.29207
|
||||
19 0.925 420.74 1.30128
|
||||
20 0.975 425.82 1.26506
|
||||
4000 20
|
||||
1 0.025 458.1 1.11989
|
||||
2 0.075 442.59 1.19037
|
||||
3 0.125 421.91 1.2786
|
||||
4 0.175 413.54 1.30989
|
||||
5 0.225 421.66 1.30544
|
||||
6 0.275 405.34 1.33082
|
||||
7 0.325 390.98 1.37382
|
||||
8 0.375 381.29 1.39754
|
||||
9 0.425 371.63 1.46937
|
||||
10 0.475 349.14 1.60137
|
||||
11 0.525 321.19 1.75166
|
||||
12 0.575 351.69 1.5907
|
||||
13 0.625 376.09 1.51591
|
||||
14 0.675 382.84 1.46283
|
||||
15 0.725 398.02 1.39733
|
||||
16 0.775 405.73 1.36226
|
||||
17 0.825 414.41 1.32542
|
||||
18 0.875 418.58 1.29152
|
||||
19 0.925 430.96 1.24851
|
||||
20 0.975 444.31 1.19226
|
||||
5000 20
|
||||
1 0.025 464.38 1.11971
|
||||
2 0.075 449.49 1.17582
|
||||
3 0.125 437.54 1.24449
|
||||
4 0.175 432.27 1.26161
|
||||
5 0.225 414.51 1.34413
|
||||
6 0.275 403.81 1.39217
|
||||
7 0.325 400.68 1.38781
|
||||
8 0.375 381.32 1.48424
|
||||
9 0.425 366.54 1.55976
|
||||
10 0.475 339.84 1.65015
|
||||
11 0.525 314.87 1.80832
|
||||
12 0.575 335.17 1.66079
|
||||
13 0.625 354.15 1.52298
|
||||
14 0.675 373.09 1.47285
|
||||
15 0.725 388.27 1.40274
|
||||
16 0.775 402.75 1.35614
|
||||
17 0.825 416.77 1.27844
|
||||
18 0.875 426.65 1.28447
|
||||
19 0.925 437.37 1.21971
|
||||
20 0.975 460.53 1.16891
|
||||
6000 20
|
||||
1 0.025 477.79 1.07138
|
||||
2 0.075 463.61 1.14115
|
||||
3 0.125 442.69 1.21507
|
||||
4 0.175 430.3 1.26827
|
||||
5 0.225 420.24 1.30748
|
||||
6 0.275 399.59 1.38073
|
||||
7 0.325 398.29 1.42137
|
||||
8 0.375 382.27 1.46754
|
||||
9 0.425 355.24 1.59727
|
||||
10 0.475 326.88 1.74182
|
||||
11 0.525 310.62 1.89724
|
||||
12 0.575 316.85 1.76669
|
||||
13 0.625 342.76 1.64659
|
||||
14 0.675 369.14 1.53832
|
||||
15 0.725 388.27 1.44001
|
||||
16 0.775 406.82 1.37819
|
||||
17 0.825 422.25 1.33123
|
||||
18 0.875 435.95 1.26146
|
||||
19 0.925 449.93 1.19376
|
||||
20 0.975 460.51 1.13057
|
||||
7000 20
|
||||
1 0.025 488.18 1.0373
|
||||
2 0.075 470.37 1.10519
|
||||
3 0.125 443.36 1.20722
|
||||
4 0.175 435.37 1.26553
|
||||
5 0.225 426.31 1.31093
|
||||
6 0.275 405.18 1.43091
|
||||
7 0.325 387.67 1.45743
|
||||
8 0.375 379.81 1.49047
|
||||
9 0.425 352.41 1.61721
|
||||
10 0.475 315.06 1.77476
|
||||
11 0.525 302.37 1.94483
|
||||
12 0.575 307.9 1.88394
|
||||
13 0.625 338.8 1.6864
|
||||
14 0.675 366.12 1.57193
|
||||
15 0.725 381.74 1.45382
|
||||
16 0.775 403.74 1.39846
|
||||
17 0.825 429.37 1.31364
|
||||
18 0.875 443.37 1.22401
|
||||
19 0.925 450.8 1.21206
|
||||
20 0.975 472.07 1.09677
|
||||
8000 20
|
||||
1 0.025 490.53 1.03918
|
||||
2 0.075 475.5 1.09852
|
||||
3 0.125 450.53 1.20924
|
||||
4 0.175 440.45 1.26306
|
||||
5 0.225 424.99 1.32063
|
||||
6 0.275 416.4 1.37795
|
||||
7 0.325 392.71 1.45664
|
||||
8 0.375 369.57 1.55868
|
||||
9 0.425 340.58 1.69566
|
||||
10 0.475 310.51 1.82773
|
||||
11 0.525 290.63 2.03311
|
||||
12 0.575 303.08 1.86013
|
||||
13 0.625 338.35 1.67357
|
||||
14 0.675 365.2 1.57201
|
||||
15 0.725 385.64 1.47216
|
||||
16 0.775 408.61 1.36367
|
||||
17 0.825 426.01 1.32799
|
||||
18 0.875 435.64 1.27383
|
||||
19 0.925 459.04 1.18076
|
||||
20 0.975 476.03 1.09128
|
||||
9000 20
|
||||
1 0.025 493.66 1.01785
|
||||
2 0.075 475.36 1.09064
|
||||
3 0.125 456.41 1.17998
|
||||
4 0.175 438.35 1.24876
|
||||
5 0.225 425.48 1.32749
|
||||
6 0.275 408.77 1.39366
|
||||
7 0.325 391.89 1.49337
|
||||
8 0.375 367.99 1.5315
|
||||
9 0.425 342.16 1.66355
|
||||
10 0.475 308.44 1.85595
|
||||
11 0.525 289.5 2.1012
|
||||
12 0.575 310.94 1.86623
|
||||
13 0.625 330.85 1.74731
|
||||
14 0.675 352.26 1.61026
|
||||
15 0.725 387.52 1.49891
|
||||
16 0.775 412.22 1.41324
|
||||
17 0.825 423 1.32256
|
||||
18 0.875 440.12 1.24547
|
||||
19 0.925 461.13 1.14324
|
||||
20 0.975 483.95 1.06894
|
||||
10000 20
|
||||
1 0.025 493.44 1.00485
|
||||
2 0.075 479.96 1.08166
|
||||
3 0.125 458.49 1.17006
|
||||
4 0.175 439.98 1.27607
|
||||
5 0.225 425.46 1.32928
|
||||
6 0.275 405.36 1.41098
|
||||
7 0.325 394.95 1.47586
|
||||
8 0.375 366.38 1.61175
|
||||
9 0.425 344.7 1.66117
|
||||
10 0.475 308.49 1.88533
|
||||
11 0.525 288.96 2.0408
|
||||
12 0.575 303.38 1.9296
|
||||
13 0.625 324.75 1.77887
|
||||
14 0.675 346.84 1.70411
|
||||
15 0.725 374.03 1.53935
|
||||
16 0.775 398.67 1.43526
|
||||
17 0.825 429.68 1.3243
|
||||
18 0.875 451.59 1.22954
|
||||
19 0.925 476.04 1.12003
|
||||
20 0.975 488.85 1.04248
|
||||
11000 20
|
||||
1 0.025 500.02 0.997544
|
||||
2 0.075 485.51 1.04291
|
||||
3 0.125 460.78 1.17538
|
||||
4 0.175 443.12 1.25016
|
||||
5 0.225 425.44 1.32948
|
||||
6 0.275 404.7 1.40602
|
||||
7 0.325 384.58 1.49241
|
||||
8 0.375 362.42 1.605
|
||||
9 0.425 344.94 1.68023
|
||||
10 0.475 310.53 1.86199
|
||||
11 0.525 289.61 2.04817
|
||||
12 0.575 309.18 1.91119
|
||||
13 0.625 323.92 1.78764
|
||||
14 0.675 340.12 1.71022
|
||||
15 0.725 372.38 1.54664
|
||||
16 0.775 402.53 1.42487
|
||||
17 0.825 425.82 1.36593
|
||||
18 0.875 456.39 1.21746
|
||||
19 0.925 474.16 1.14909
|
||||
20 0.975 483.85 1.07061
|
||||
12000 20
|
||||
1 0.025 499.8 0.994909
|
||||
2 0.075 482.54 1.07207
|
||||
3 0.125 467.01 1.13936
|
||||
4 0.175 452.48 1.20563
|
||||
5 0.225 419.33 1.31739
|
||||
6 0.275 408.57 1.41738
|
||||
7 0.325 384.74 1.53218
|
||||
8 0.375 359.77 1.64898
|
||||
9 0.425 339.04 1.7564
|
||||
10 0.475 308.53 1.92345
|
||||
11 0.525 287.81 2.09824
|
||||
12 0.575 304.68 1.90702
|
||||
13 0.625 333.35 1.79157
|
||||
14 0.675 351.59 1.6893
|
||||
15 0.725 371.57 1.5772
|
||||
16 0.775 400.64 1.41488
|
||||
17 0.825 420.33 1.31099
|
||||
18 0.875 451.4 1.19304
|
||||
19 0.925 471.69 1.12948
|
||||
20 0.975 485.13 1.04746
|
||||
13000 20
|
||||
1 0.025 503.64 0.988261
|
||||
2 0.075 486.85 1.08391
|
||||
3 0.125 469.73 1.16146
|
||||
4 0.175 449.92 1.24118
|
||||
5 0.225 428.54 1.30744
|
||||
6 0.275 401 1.41827
|
||||
7 0.325 384.38 1.51763
|
||||
8 0.375 364.15 1.61539
|
||||
9 0.425 331.98 1.73066
|
||||
10 0.475 288.81 1.98365
|
||||
11 0.525 281.05 2.13748
|
||||
12 0.575 306.84 1.93487
|
||||
13 0.625 326.66 1.78932
|
||||
14 0.675 354.97 1.64836
|
||||
15 0.725 382.45 1.53741
|
||||
16 0.775 398.66 1.44439
|
||||
17 0.825 430.19 1.33042
|
||||
18 0.875 449.92 1.24153
|
||||
19 0.925 466.29 1.14799
|
||||
20 0.975 493.97 1.05127
|
||||
14000 20
|
||||
1 0.025 499.93 1.00299
|
||||
2 0.075 479.91 1.07624
|
||||
3 0.125 462.66 1.14654
|
||||
4 0.175 449.59 1.22449
|
||||
5 0.225 432.47 1.29814
|
||||
6 0.275 408.89 1.40939
|
||||
7 0.325 386.97 1.53853
|
||||
8 0.375 362.35 1.64813
|
||||
9 0.425 326.71 1.80818
|
||||
10 0.475 298.56 1.96655
|
||||
11 0.525 290.36 2.11313
|
||||
12 0.575 301.66 1.92621
|
||||
13 0.625 321.81 1.81123
|
||||
14 0.675 357.27 1.62549
|
||||
15 0.725 387.22 1.47994
|
||||
16 0.775 405.63 1.41
|
||||
17 0.825 424.92 1.32186
|
||||
18 0.875 444.21 1.23098
|
||||
19 0.925 472.25 1.15027
|
||||
20 0.975 486.63 1.04785
|
||||
15000 20
|
||||
1 0.025 497.49 1.01549
|
||||
2 0.075 487.97 1.07637
|
||||
3 0.125 469.45 1.14977
|
||||
4 0.175 453.19 1.2139
|
||||
5 0.225 428.71 1.29414
|
||||
6 0.275 396.96 1.4388
|
||||
7 0.325 380.03 1.5423
|
||||
8 0.375 360.6 1.60763
|
||||
9 0.425 328.13 1.79466
|
||||
10 0.475 311.21 1.9536
|
||||
11 0.525 274.64 2.13181
|
||||
12 0.575 293.97 1.96884
|
||||
13 0.625 328.7 1.81525
|
||||
14 0.675 357.56 1.64437
|
||||
15 0.725 388.69 1.50419
|
||||
16 0.775 403.67 1.4075
|
||||
17 0.825 432.44 1.29696
|
||||
18 0.875 446.86 1.23334
|
||||
19 0.925 469.06 1.1332
|
||||
20 0.975 490.67 1.06647
|
||||
16000 20
|
||||
1 0.025 496.54 0.992081
|
||||
2 0.075 483.37 1.05866
|
||||
3 0.125 468.02 1.15093
|
||||
4 0.175 450.02 1.18863
|
||||
5 0.225 429.07 1.32678
|
||||
6 0.275 400.75 1.40981
|
||||
7 0.325 386.33 1.51788
|
||||
8 0.375 357.57 1.60733
|
||||
9 0.425 330.81 1.78059
|
||||
10 0.475 304.98 1.99669
|
||||
11 0.525 277.98 2.21199
|
||||
12 0.575 298.05 2.00225
|
||||
13 0.625 325.8 1.82348
|
||||
14 0.675 355.79 1.659
|
||||
15 0.725 381.78 1.54841
|
||||
16 0.775 410.24 1.40353
|
||||
17 0.825 431.79 1.29682
|
||||
18 0.875 451.6 1.2255
|
||||
19 0.925 467.48 1.13627
|
||||
20 0.975 492.03 1.04517
|
||||
17000 20
|
||||
1 0.025 498.68 0.99871
|
||||
2 0.075 489.48 1.06155
|
||||
3 0.125 465.54 1.14933
|
||||
4 0.175 450.46 1.20878
|
||||
5 0.225 431.05 1.30516
|
||||
6 0.275 411.99 1.39266
|
||||
7 0.325 389.18 1.50508
|
||||
8 0.375 354.93 1.66282
|
||||
9 0.425 324.57 1.78592
|
||||
10 0.475 305.75 1.92511
|
||||
11 0.525 274.68 2.17876
|
||||
12 0.575 306.54 1.93387
|
||||
13 0.625 324.93 1.85355
|
||||
14 0.675 344.03 1.67816
|
||||
15 0.725 374.88 1.58249
|
||||
16 0.775 402.75 1.43992
|
||||
17 0.825 433.68 1.34283
|
||||
18 0.875 454.71 1.19427
|
||||
19 0.925 477.27 1.1262
|
||||
20 0.975 484.9 1.05365
|
||||
18000 20
|
||||
1 0.025 502.14 0.994111
|
||||
2 0.075 489.46 1.05234
|
||||
3 0.125 471.8 1.14019
|
||||
4 0.175 454.04 1.20163
|
||||
5 0.225 435.14 1.31679
|
||||
6 0.275 416.94 1.38216
|
||||
7 0.325 383.19 1.51772
|
||||
8 0.375 350.99 1.66337
|
||||
9 0.425 325.97 1.88725
|
||||
10 0.475 294.08 2.00371
|
||||
11 0.525 275.54 2.15248
|
||||
12 0.575 297.02 1.9867
|
||||
13 0.625 329.65 1.81588
|
||||
14 0.675 362.09 1.63016
|
||||
15 0.725 374.31 1.55182
|
||||
16 0.775 401.51 1.44582
|
||||
17 0.825 419.39 1.34122
|
||||
18 0.875 453.42 1.2206
|
||||
19 0.925 471.25 1.12867
|
||||
20 0.975 492.07 1.04354
|
||||
19000 20
|
||||
1 0.025 502.42 1.00164
|
||||
2 0.075 490.82 1.03559
|
||||
3 0.125 468.58 1.15264
|
||||
4 0.175 454.05 1.1984
|
||||
5 0.225 430.32 1.3128
|
||||
6 0.275 408.35 1.42214
|
||||
7 0.325 396.84 1.48762
|
||||
8 0.375 354.85 1.67448
|
||||
9 0.425 322.83 1.87735
|
||||
10 0.475 292.12 2.05836
|
||||
11 0.525 274.86 2.18629
|
||||
12 0.575 299.61 2.03723
|
||||
13 0.625 329.49 1.74092
|
||||
14 0.675 361.01 1.67602
|
||||
15 0.725 374.55 1.53803
|
||||
16 0.775 402.15 1.43119
|
||||
17 0.825 425.17 1.31141
|
||||
18 0.875 447.47 1.22989
|
||||
19 0.925 475.27 1.12274
|
||||
20 0.975 489.24 1.04129
|
||||
20000 20
|
||||
1 0.025 507.05 0.985636
|
||||
2 0.075 489.46 1.06482
|
||||
3 0.125 471.71 1.14289
|
||||
4 0.175 450.37 1.21487
|
||||
5 0.225 430.1 1.31104
|
||||
6 0.275 408.7 1.40935
|
||||
7 0.325 382.5 1.52176
|
||||
8 0.375 360.55 1.64968
|
||||
9 0.425 318.34 1.81665
|
||||
10 0.475 302.49 1.98709
|
||||
11 0.525 274.86 2.26875
|
||||
12 0.575 301.61 1.97991
|
||||
13 0.625 320.77 1.7889
|
||||
14 0.675 353.45 1.6694
|
||||
15 0.725 376.95 1.53918
|
||||
16 0.775 402.52 1.42965
|
||||
17 0.825 434.71 1.30078
|
||||
18 0.875 446.64 1.22872
|
||||
19 0.925 476.11 1.1357
|
||||
20 0.975 491.11 1.0545
|
||||
21000 20
|
||||
1 0.025 502.02 0.996975
|
||||
2 0.075 500 1.04008
|
||||
3 0.125 465.52 1.1527
|
||||
4 0.175 451.21 1.22241
|
||||
5 0.225 431.92 1.30438
|
||||
6 0.275 404.35 1.41696
|
||||
7 0.325 380.56 1.50702
|
||||
8 0.375 349.03 1.67654
|
||||
9 0.425 327.74 1.80477
|
||||
10 0.475 298.95 1.97771
|
||||
11 0.525 273.09 2.1449
|
||||
12 0.575 296.31 2.01143
|
||||
13 0.625 324.33 1.82373
|
||||
14 0.675 357.97 1.67534
|
||||
15 0.725 382.27 1.55158
|
||||
16 0.775 404.18 1.45029
|
||||
17 0.825 430.88 1.3346
|
||||
18 0.875 452.25 1.21963
|
||||
19 0.925 476.52 1.12056
|
||||
20 0.975 490.9 1.06242
|
||||
22000 20
|
||||
1 0.025 505.75 0.995055
|
||||
2 0.075 489.26 1.05466
|
||||
3 0.125 464.65 1.13693
|
||||
4 0.175 452.39 1.22259
|
||||
5 0.225 430.5 1.28915
|
||||
6 0.275 407.1 1.39622
|
||||
7 0.325 380.42 1.52274
|
||||
8 0.375 349.8 1.68785
|
||||
9 0.425 324.54 1.84631
|
||||
10 0.475 308.14 1.96006
|
||||
11 0.525 283.84 2.18714
|
||||
12 0.575 299.17 1.96998
|
||||
13 0.625 327.48 1.82272
|
||||
14 0.675 353.31 1.66948
|
||||
15 0.725 377.83 1.56207
|
||||
16 0.775 394.04 1.42083
|
||||
17 0.825 428.86 1.31178
|
||||
18 0.875 455.26 1.20674
|
||||
19 0.925 472.77 1.11081
|
||||
20 0.975 494.89 1.05391
|
||||
23000 20
|
||||
1 0.025 497.95 0.994932
|
||||
2 0.075 494.48 1.05526
|
||||
3 0.125 477.58 1.12291
|
||||
4 0.175 450.46 1.2093
|
||||
5 0.225 426.82 1.31591
|
||||
6 0.275 404.53 1.4151
|
||||
7 0.325 384.47 1.53316
|
||||
8 0.375 363.47 1.62974
|
||||
9 0.425 322 1.8461
|
||||
10 0.475 300.61 1.99473
|
||||
11 0.525 270.97 2.14953
|
||||
12 0.575 302.06 1.97712
|
||||
13 0.625 326.65 1.84056
|
||||
14 0.675 349.81 1.68226
|
||||
15 0.725 378.88 1.51982
|
||||
16 0.775 404.54 1.40091
|
||||
17 0.825 429.59 1.34441
|
||||
18 0.875 451.78 1.21689
|
||||
19 0.925 473.03 1.13568
|
||||
20 0.975 490.32 1.06191
|
||||
24000 20
|
||||
1 0.025 505.71 0.984351
|
||||
2 0.075 496.09 1.0397
|
||||
3 0.125 471.23 1.13752
|
||||
4 0.175 453.38 1.22101
|
||||
5 0.225 429.16 1.33429
|
||||
6 0.275 406.3 1.44301
|
||||
7 0.325 380.22 1.55489
|
||||
8 0.375 362.14 1.64792
|
||||
9 0.425 323.14 1.81837
|
||||
10 0.475 291.35 2.02091
|
||||
11 0.525 274.66 2.15935
|
||||
12 0.575 292.27 2.027
|
||||
13 0.625 329.24 1.81661
|
||||
14 0.675 358.32 1.6251
|
||||
15 0.725 385.73 1.51897
|
||||
16 0.775 400.85 1.4235
|
||||
17 0.825 426.67 1.33476
|
||||
18 0.875 452.21 1.23316
|
||||
19 0.925 474.84 1.14261
|
||||
20 0.975 486.49 1.07142
|
||||
25000 20
|
||||
1 0.025 504.2 0.986279
|
||||
2 0.075 492.68 1.04515
|
||||
3 0.125 472.59 1.11307
|
||||
4 0.175 458.93 1.21339
|
||||
5 0.225 427.02 1.30947
|
||||
6 0.275 397.21 1.45361
|
||||
7 0.325 378.68 1.53044
|
||||
8 0.375 353.18 1.6666
|
||||
9 0.425 336.06 1.80054
|
||||
10 0.475 286.89 2.03048
|
||||
11 0.525 276.75 2.15524
|
||||
12 0.575 301.59 1.99783
|
||||
13 0.625 336.16 1.79213
|
||||
14 0.675 364.99 1.63634
|
||||
15 0.725 374.23 1.53878
|
||||
16 0.775 406.37 1.43691
|
||||
17 0.825 422.42 1.33538
|
||||
18 0.875 452.17 1.20866
|
||||
19 0.925 468.2 1.14138
|
||||
20 0.975 489.68 1.0471
|
||||
26000 20
|
||||
1 0.025 504.86 0.983236
|
||||
2 0.075 490.99 1.03874
|
||||
3 0.125 472.38 1.14777
|
||||
4 0.175 449.66 1.23742
|
||||
5 0.225 429.84 1.31422
|
||||
6 0.275 405.77 1.42474
|
||||
7 0.325 373.27 1.54885
|
||||
8 0.375 352.38 1.68211
|
||||
9 0.425 328.67 1.79759
|
||||
10 0.475 299.24 1.98588
|
||||
11 0.525 276.79 2.13682
|
||||
12 0.575 306.51 1.94954
|
||||
13 0.625 332.41 1.79026
|
||||
14 0.675 344.74 1.71161
|
||||
15 0.725 383.2 1.52858
|
||||
16 0.775 397.32 1.44485
|
||||
17 0.825 429.88 1.33171
|
||||
18 0.875 451.72 1.21822
|
||||
19 0.925 473.58 1.13378
|
||||
20 0.975 496.79 1.03806
|
||||
27000 20
|
||||
1 0.025 505.1 0.985354
|
||||
2 0.075 495.4 1.02625
|
||||
3 0.125 470.54 1.12757
|
||||
4 0.175 454.69 1.21337
|
||||
5 0.225 433.62 1.31718
|
||||
6 0.275 398.04 1.44012
|
||||
7 0.325 373.71 1.5668
|
||||
8 0.375 357.1 1.66225
|
||||
9 0.425 332.54 1.81062
|
||||
10 0.475 298.38 1.98877
|
||||
11 0.525 280.65 2.14363
|
||||
12 0.575 305.3 1.94306
|
||||
13 0.625 328.16 1.83339
|
||||
14 0.675 351.99 1.67429
|
||||
15 0.725 368.53 1.59129
|
||||
16 0.775 407.26 1.4253
|
||||
17 0.825 429.89 1.28775
|
||||
18 0.875 445.36 1.23303
|
||||
19 0.925 474.61 1.11874
|
||||
20 0.975 489.13 1.05433
|
||||
28000 20
|
||||
1 0.025 500.8 1.00374
|
||||
2 0.075 492.02 1.04039
|
||||
3 0.125 476.36 1.12484
|
||||
4 0.175 447.94 1.21583
|
||||
5 0.225 436.48 1.31146
|
||||
6 0.275 407.24 1.42779
|
||||
7 0.325 376.75 1.56764
|
||||
8 0.375 364.69 1.63659
|
||||
9 0.425 328.19 1.81192
|
||||
10 0.475 306.23 1.94199
|
||||
11 0.525 276.65 2.14278
|
||||
12 0.575 303.07 1.98437
|
||||
13 0.625 318.25 1.81569
|
||||
14 0.675 338.44 1.71023
|
||||
15 0.725 375.6 1.55642
|
||||
16 0.775 406.82 1.41954
|
||||
17 0.825 431.49 1.30394
|
||||
18 0.875 451.83 1.21779
|
||||
19 0.925 472.29 1.14203
|
||||
20 0.975 488.86 1.05808
|
||||
29000 20
|
||||
1 0.025 500.09 0.991522
|
||||
2 0.075 490.38 1.04718
|
||||
3 0.125 472.73 1.12481
|
||||
4 0.175 448.42 1.21821
|
||||
5 0.225 433.93 1.28948
|
||||
6 0.275 401.3 1.42038
|
||||
7 0.325 378.55 1.54873
|
||||
8 0.375 357.9 1.63884
|
||||
9 0.425 332.31 1.81878
|
||||
10 0.475 304.94 1.95789
|
||||
11 0.525 287.53 2.09848
|
||||
12 0.575 310.61 1.92985
|
||||
13 0.625 323.68 1.87361
|
||||
14 0.675 346.52 1.70247
|
||||
15 0.725 377.17 1.54019
|
||||
16 0.775 400.09 1.3954
|
||||
17 0.825 423.34 1.3146
|
||||
18 0.875 449.8 1.21144
|
||||
19 0.925 472.55 1.12841
|
||||
20 0.975 488.16 1.0486
|
||||
30000 20
|
||||
1 0.025 505.29 0.985703
|
||||
2 0.075 490.39 1.06887
|
||||
3 0.125 467.85 1.12916
|
||||
4 0.175 451.18 1.20132
|
||||
5 0.225 428.53 1.29249
|
||||
6 0.275 399.4 1.40401
|
||||
7 0.325 380.24 1.50509
|
||||
8 0.375 356.5 1.64879
|
||||
9 0.425 336.95 1.79226
|
||||
10 0.475 308.06 1.88944
|
||||
11 0.525 280.66 2.1085
|
||||
12 0.575 294.78 2.0016
|
||||
13 0.625 318.8 1.85148
|
||||
14 0.675 353.24 1.69795
|
||||
15 0.725 376.42 1.58066
|
||||
16 0.775 408.33 1.42233
|
||||
17 0.825 429.01 1.31129
|
||||
18 0.875 450.54 1.2446
|
||||
19 0.925 473.76 1.14926
|
||||
20 0.975 490.07 1.06965
|
||||
31000 20
|
||||
1 0.025 498.95 0.997907
|
||||
2 0.075 488.46 1.05654
|
||||
3 0.125 473.44 1.14503
|
||||
4 0.175 452.04 1.22914
|
||||
5 0.225 429.51 1.31588
|
||||
6 0.275 410.71 1.40168
|
||||
7 0.325 385.91 1.52221
|
||||
8 0.375 346.49 1.69074
|
||||
9 0.425 328.92 1.82548
|
||||
10 0.475 313 1.9238
|
||||
11 0.525 273.97 2.14963
|
||||
12 0.575 295.55 2.00793
|
||||
13 0.625 326.42 1.79987
|
||||
14 0.675 356.19 1.66716
|
||||
15 0.725 377.76 1.5605
|
||||
16 0.775 401.7 1.40467
|
||||
17 0.825 426.96 1.31237
|
||||
18 0.875 454.88 1.20654
|
||||
19 0.925 471.46 1.13508
|
||||
20 0.975 487.68 1.05299
|
||||
32000 20
|
||||
1 0.025 497.3 0.993242
|
||||
2 0.075 495.55 1.05003
|
||||
3 0.125 475.01 1.12834
|
||||
4 0.175 455.88 1.21644
|
||||
5 0.225 433.79 1.34023
|
||||
6 0.275 410.65 1.41268
|
||||
7 0.325 384.81 1.55967
|
||||
8 0.375 352.55 1.69205
|
||||
9 0.425 316.53 1.85004
|
||||
10 0.475 302.33 2.02798
|
||||
11 0.525 272.85 2.15326
|
||||
12 0.575 300.8 1.94569
|
||||
13 0.625 325.9 1.78139
|
||||
14 0.675 353.04 1.64256
|
||||
15 0.725 377.61 1.5734
|
||||
16 0.775 402.07 1.42381
|
||||
17 0.825 431.29 1.29518
|
||||
18 0.875 449.44 1.20763
|
||||
19 0.925 475.18 1.14206
|
||||
20 0.975 487.42 1.07447
|
||||
33000 20
|
||||
1 0.025 498.7 0.99306
|
||||
2 0.075 484.1 1.05495
|
||||
3 0.125 477.67 1.10819
|
||||
4 0.175 456.03 1.19111
|
||||
5 0.225 430.71 1.30116
|
||||
6 0.275 401.3 1.40019
|
||||
7 0.325 379.84 1.53695
|
||||
8 0.375 348.43 1.66976
|
||||
9 0.425 319.72 1.78537
|
||||
10 0.475 304.12 1.98665
|
||||
11 0.525 282.2 2.15122
|
||||
12 0.575 300.19 2.00112
|
||||
13 0.625 326 1.83475
|
||||
14 0.675 359.6 1.71865
|
||||
15 0.725 373.35 1.58302
|
||||
16 0.775 403.99 1.43418
|
||||
17 0.825 438.48 1.28281
|
||||
18 0.875 452.16 1.23982
|
||||
19 0.925 474.44 1.14438
|
||||
20 0.975 488.97 1.05512
|
||||
34000 20
|
||||
1 0.025 498.84 0.999218
|
||||
2 0.075 490.37 1.05551
|
||||
3 0.125 474.57 1.10448
|
||||
4 0.175 458.82 1.19533
|
||||
5 0.225 433.81 1.2994
|
||||
6 0.275 399.29 1.45103
|
||||
7 0.325 372.36 1.57931
|
||||
8 0.375 357.53 1.66622
|
||||
9 0.425 330.9 1.82
|
||||
10 0.475 300.52 1.9526
|
||||
11 0.525 283.48 2.16858
|
||||
12 0.575 298.31 2.00109
|
||||
13 0.625 324.4 1.86763
|
||||
14 0.675 356.56 1.66589
|
||||
15 0.725 378.33 1.54503
|
||||
16 0.775 402.14 1.42876
|
||||
17 0.825 427.19 1.29336
|
||||
18 0.875 454.05 1.21058
|
||||
19 0.925 471.27 1.13019
|
||||
20 0.975 487.26 1.03595
|
||||
35000 20
|
||||
1 0.025 503.09 0.981854
|
||||
2 0.075 491.52 1.04171
|
||||
3 0.125 468.83 1.14213
|
||||
4 0.175 449.28 1.22792
|
||||
5 0.225 426.61 1.33015
|
||||
6 0.275 397.29 1.45446
|
||||
7 0.325 380.22 1.50557
|
||||
8 0.375 358.44 1.65204
|
||||
9 0.425 322.17 1.81553
|
||||
10 0.475 300.01 1.94598
|
||||
11 0.525 277.14 2.23624
|
||||
12 0.575 300.5 1.96859
|
||||
13 0.625 321.66 1.83017
|
||||
14 0.675 356.45 1.6751
|
||||
15 0.725 379.61 1.56163
|
||||
16 0.775 408.27 1.44994
|
||||
17 0.825 433.01 1.30949
|
||||
18 0.875 449.72 1.20516
|
||||
19 0.925 479.63 1.12035
|
||||
20 0.975 496.55 1.03065
|
||||
36000 20
|
||||
1 0.025 508.98 0.973654
|
||||
2 0.075 491.27 1.06484
|
||||
3 0.125 470.48 1.15269
|
||||
4 0.175 441.17 1.27333
|
||||
5 0.225 424.33 1.34342
|
||||
6 0.275 398.87 1.43191
|
||||
7 0.325 385.85 1.52299
|
||||
8 0.375 355.79 1.65819
|
||||
9 0.425 333.05 1.80628
|
||||
10 0.475 299.52 1.97245
|
||||
11 0.525 281.27 2.16233
|
||||
12 0.575 296.49 2.00554
|
||||
13 0.625 319.69 1.8411
|
||||
14 0.675 353.62 1.67747
|
||||
15 0.725 376.37 1.56099
|
||||
16 0.775 406.02 1.41604
|
||||
17 0.825 431.6 1.30323
|
||||
18 0.875 456.19 1.19013
|
||||
19 0.925 471.45 1.10501
|
||||
20 0.975 497.99 1.02785
|
||||
37000 20
|
||||
1 0.025 506.28 0.967865
|
||||
2 0.075 487.66 1.06251
|
||||
3 0.125 469.65 1.17643
|
||||
4 0.175 440.95 1.27608
|
||||
5 0.225 414.43 1.38263
|
||||
6 0.275 400.32 1.45539
|
||||
7 0.325 390.41 1.51394
|
||||
8 0.375 354.58 1.67399
|
||||
9 0.425 324.34 1.82799
|
||||
10 0.475 299.66 1.90733
|
||||
11 0.525 290.36 2.11314
|
||||
12 0.575 291.1 2.01129
|
||||
13 0.625 326.89 1.77625
|
||||
14 0.675 358.51 1.64469
|
||||
15 0.725 369.84 1.56721
|
||||
16 0.775 408.25 1.42178
|
||||
17 0.825 430.89 1.30807
|
||||
18 0.875 452.54 1.20669
|
||||
19 0.925 483.2 1.09077
|
||||
20 0.975 500.14 1.02256
|
||||
38000 20
|
||||
1 0.025 509.23 0.97086
|
||||
2 0.075 490.56 1.0399
|
||||
3 0.125 458.55 1.16873
|
||||
4 0.175 438.57 1.27037
|
||||
5 0.225 418.64 1.38351
|
||||
6 0.275 396.52 1.44719
|
||||
7 0.325 379.45 1.52783
|
||||
8 0.375 356.99 1.65986
|
||||
9 0.425 328.84 1.76326
|
||||
10 0.475 305.8 1.9175
|
||||
11 0.525 284.48 2.13982
|
||||
12 0.575 304.21 2.00019
|
||||
13 0.625 324.83 1.8291
|
||||
14 0.675 348.04 1.71444
|
||||
15 0.725 384.55 1.54598
|
||||
16 0.775 406.8 1.41278
|
||||
17 0.825 437.24 1.29628
|
||||
18 0.875 459.87 1.18139
|
||||
19 0.925 472.92 1.08656
|
||||
20 0.975 493.91 1.04277
|
||||
39000 20
|
||||
1 0.025 505.83 1.00563
|
||||
2 0.075 487.5 1.06419
|
||||
3 0.125 462.51 1.16717
|
||||
4 0.175 443.87 1.29406
|
||||
5 0.225 421.08 1.35249
|
||||
6 0.275 401.24 1.43267
|
||||
7 0.325 376.19 1.5924
|
||||
8 0.375 345.31 1.66879
|
||||
9 0.425 325.44 1.74705
|
||||
10 0.475 301.64 1.91892
|
||||
11 0.525 284.49 2.11906
|
||||
12 0.575 297.3 1.99897
|
||||
13 0.625 319.27 1.79583
|
||||
14 0.675 357.16 1.63078
|
||||
15 0.725 382.77 1.54495
|
||||
16 0.775 407.59 1.40974
|
||||
17 0.825 436.57 1.31302
|
||||
18 0.875 463.27 1.19801
|
||||
19 0.925 481.13 1.10427
|
||||
20 0.975 499.84 1.02472
|
||||
40000 20
|
||||
1 0.025 494.98 0.999162
|
||||
2 0.075 484.9 1.05726
|
||||
3 0.125 474.6 1.12553
|
||||
4 0.175 447.61 1.25742
|
||||
5 0.225 421.14 1.32375
|
||||
6 0.275 395.9 1.42853
|
||||
7 0.325 372.57 1.59773
|
||||
8 0.375 357.77 1.67008
|
||||
9 0.425 328.92 1.81981
|
||||
10 0.475 299.98 2.06643
|
||||
11 0.525 280.3 2.1764
|
||||
12 0.575 295.9 2.00865
|
||||
13 0.625 324.86 1.83372
|
||||
14 0.675 367.54 1.58994
|
||||
15 0.725 390.83 1.48393
|
||||
16 0.775 407.2 1.4381
|
||||
17 0.825 426.09 1.28159
|
||||
18 0.875 457.38 1.19313
|
||||
19 0.925 476.84 1.08455
|
||||
20 0.975 494.69 1.01132
|
||||
41000 20
|
||||
1 0.025 504.28 0.993682
|
||||
2 0.075 485.15 1.07807
|
||||
3 0.125 469.32 1.15207
|
||||
4 0.175 454.45 1.216
|
||||
5 0.225 424.94 1.37143
|
||||
6 0.275 397.59 1.47379
|
||||
7 0.325 377.72 1.56347
|
||||
8 0.375 342.22 1.64781
|
||||
9 0.425 324.1 1.80277
|
||||
10 0.475 293.87 2.02367
|
||||
11 0.525 280.93 2.13449
|
||||
12 0.575 289.81 2.00446
|
||||
13 0.625 321.62 1.8231
|
||||
14 0.675 360.42 1.67296
|
||||
15 0.725 391.51 1.5234
|
||||
16 0.775 412.98 1.40015
|
||||
17 0.825 439.35 1.29886
|
||||
18 0.875 459.21 1.21081
|
||||
19 0.925 474.56 1.1222
|
||||
20 0.975 495.97 1.04918
|
||||
Loading…
Reference in New Issue