diff --git a/potentials/CC.KC b/potentials/CC.KC index 6559eb4120..5e0bc0d89d 100644 --- a/potentials/CC.KC +++ b/potentials/CC.KC @@ -1,8 +1,5 @@ -# 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 diff --git a/potentials/CC.Lebedeva b/potentials/CC.Lebedeva index b5599ee0a6..bc2db03f6b 100644 --- a/potentials/CC.Lebedeva +++ b/potentials/CC.Lebedeva @@ -4,9 +4,9 @@ # 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 diff --git a/potentials/CH.KC b/potentials/CH.KC index bfab2954df..0ec32b8dff 100644 --- a/potentials/CH.KC +++ b/potentials/CH.KC @@ -1,5 +1,5 @@ # 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 diff --git a/potentials/CH_taper.KC b/potentials/CH_taper.KC index 0043b1b9d0..e7f4b566c8 100644 --- a/potentials/CH_taper.KC +++ b/potentials/CH_taper.KC @@ -1,5 +1,5 @@ # 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