Dear Steve and Santosh,
I am trying to calculate my program using the compute cna/atom command.My material is silicon, which owns a diamond lattice.I find that in the cna command, diamond lattice is not recognized.I want to know whether there is a way to calculate my silicon.
Sincerely yours,
susie
Dear Chen:
In the current compute cna/atom implementation, structural
patterns other than FCC, HCP, BCC,ICO can not be recognized.
You have to go through the papers on the CNA method to
figure out how a diamond structure is defined in the CNA
framework.
L. Wan
2010/5/18 陈耘辉 <susie8642@…215…>