README
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22# Portions Copyright (c) 2019, Regents of the University of Minnesota.
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25# Contributors:
26# Daniel S. Karls
27# Ellad B. Tadmor
28# Ryan S. Elliott
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30# Portions Copyright (c) 2019, Regents of the University of Minnesota.
31# All rights reserved.
32#
33# Contributors:
34# Anshul Chawla
35#
36
37Model driver for the Khor-Das Sarma three-body bond-order potential
38presented in
39
40K.E.Khor and S. Das Sarma (1988)
41"Proposed universal interatomic potential for elemental tetrahedrally
42bonded semiconductors", Physical Review B, Vol. 38, 3318-3322, 1988.
43
44This driver reads in one parameter file with the species followed by
45ten parameters (required units indicated in square brackets following
46the parameter):
47
48species
49A [eV]
50B [unitless]
51theta [1/Angstrom]
52lambda [1/Angstrom]
53alpha [unitless]
54beta [unitless]
55gamma [unitless]
56eta [unitless]
57R [Angstrom]
58thetanot [radians]
59