Angular potential¶
The 3-body angular potential requires in.params.angular
file of the following format.
# type, cspi, cspj, cspk, rc3, alp, bet, gmm
1 Zr O O 3.50 2.133 1.000 -0.677
1 P O O 3.50 2.282 1.000 -0.553
- Lines starting with
#
or!
are treated as comments. - The first entry is the type of the angular potential to be among species specified in the following entry.