1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
|
# DATE: 2019-04-19 UNITS: metal CONTRIBUTOR: Mingjian Wen, wenxx151@umn.edu CITATION: Wen, Carr, Fang, Kaxiras, Tadmor, Phys. Rev. B, 98, 235404 (2018).
#
# Parameters of the Dihedral-angle-corrected registry-dependent interlayer (DRIP)
# potential for multilayer graphene structures.
# C0 C2 C4 C delta lambda A z0 B eta rho_cut r_cut normal_cut
C C 1.1598e-02 1.2981e-02 3.2515e-02 7.8151e-03 8.3679e-01 2.7158 2.2216e-02 3.34 7.6799e-03 1.1432 1.562 12.0 3.7
# C0, C2, C4, C, A, and B in [eV]
# delta, z0, eta, rho_cut, r_cut, and normal_cut in [Angstrom]
# lambda in [1/Angstrom]
#
# normal_cut is a parameter not present in the Wen paper, but specific to the
# LAMMPS implementation, which is used to find the 3 nearest neighbors of an
# atom to construct the normal.
|
