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Bumped nmesh to 1024 in m_filter.f90 

Certain FilterCutoff values did not result in usable
basis functions. This change should resolve most of the problems.

This result will change all basis-functions using the FilterCutoff option
and destroys any backward compatibility for such calculations. Since
the filtering is only applied when FilterCutoff is specified the majority
of calculations should be unaffected.
This commit is contained in:
Nick Papior 2018-07-13 20:14:42 +02:00
parent 7a3e974f3a
commit cb00aa4540
2 changed files with 2 additions and 2 deletions
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2
Src/m_filter.f90
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@ -88,7 +88,7 @@ PRIVATE ! Nothing is declared public beyond this point
integer, parameter :: dp = selected_real_kind(14,100)
! Internal parameters for filter subroutine
integer, parameter:: nmesh = 128 ! Number of radial integr. points
integer, parameter:: nmesh = 1024 ! Number of radial integr. points
integer, parameter:: minj = 10 ! Min. num. of Bessel functions
real(dp),parameter:: njkr = 0.65_dp ! Num. Bess. funcs. / (kc*rc)
real(dp),parameter:: emax = 1.e-2_dp ! Min. accepted eigval

2
version.info
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@ -1 +1 @@
siesta-4.1--944
siesta-4.1--945