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update some more interlayer potential files

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Axel Kohlmeyer 2021-08-17 21:55:12 -04:00
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4 changed files with 7 additions and 10 deletions
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7
potentials/CC.KC
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# Kolmogorov-Crespi Potential
#
# Cite as A.N. Kolmogorov & V. H. Crespi,
# Registry-dependent interlayer potential for graphitic systems
# Physical Review B 71, 235415 (2005)
# DATE: 2017-02-28 UNITS: metal CONTRIBUTOR: Jaap Kroes jaapkroes@gmail.com CITATION: Kolmogorov, Crespi, Physical Review B 71, 235415 (2005)
# Kolmogorov-Crespi Potential for pair style kolmogorov/crespi/z
#
# z0 C0 C2 C4 C delta lambda A S
C C 3.34 15.71 12.29 4.933 3.030 0.578 3.629 10.238 1.0

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potentials/CH.KC
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# DATE: 2018-09-12 UNITS: metal CONTRIBUTOR: Wengen Ouyang w.g.ouyang@gmail.com CITATION: Ouyang, Mandelli, Urbakh, Hod, Nano Letters 18, 6009-6016 (2018).
# Refined parameters for Kolmogorov-Crespi Potential without taper function
# Refined parameters for Kolmogorov-Crespi Potential without taper function for pair style kolmogorov/crespi/full
#
# z0 C0 C2 C4 C delta lambda A S rcut
C C 3.328819 21.847167 12.060173 4.711099 6.678908e-4 0.7718101 3.143921 12.660270 1.0 2.0

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potentials/CH_taper.KC
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# DATE: 2018-09-12 UNITS: metal CONTRIBUTOR: Wengen Ouyang w.g.ouyang@gmail.com CITATION: W. Ouyang, D. Mandelli, M. Urbakh and O. Hod, Nano Letters 18, 6009-6016 (2018).
# Refined parameters for Kolmogorov-Crespi Potential with taper function
# Refined parameters for Kolmogorov-Crespi Potential with taper function for pair style kolmogorov/crespi/full
#
# z0 C0 C2 C4 C delta lambda A S rcut
C C 3.416084 20.021583 10.9055107 4.2756354 1.0010836E-2 0.8447122 2.9360584 14.3132588 1.0 2.0