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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
# 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
#
# Cite as A.N. Kolmogorov & V. H. Crespi,
# Registry-dependent interlayer potential for graphitic systems
# Physical Review B 71, 235415 (2005)
#
# 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/CC.Lebedeva
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# Parameters must be in this order as here, otherwise their values may be changed.
# The last one, S, is convenient for scaling the potential amplitude. S is a multiplication factor for A, B, C
# A B C z0 alpha D1 D2 lambda1 lambda2 S
# A B C z0 alpha D1 D2 lambda1 lambda2 S
# These are values according to Levedeva et al
#C C 10.510 11.6523.34 35.883 3.34 4.16 -0.86232 0.10049 0.48703 0.46445 1.0
#C C 10.510 11.6523.34 35.883 3.34 4.16 -0.86232 0.10049 0.48703 0.46445 1.0
#
# These are values by Z. Koziol et al.: https://arxiv.org/abs/1803.05162
C C 14.558 21.204 1.8 3.198 4.16 -0.862 0.10049 0.6 0.4 1.0
C C 14.558 21.204 1.8 3.198 4.16 -0.862 0.10049 0.6 0.4 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