[Pw_forum] How to choose the supercell ? (cao tengfei)
tfcao at theory.issp.ac.cn
Wed Apr 27 04:52:12 CEST 2011
Dear QE users:
I want to construct a supercell of graphene with one Hydrogen absorbed on it , and my question is how can I choose the supercell properly so that the interaction between Hydrogens can be neglected . Any suggestions will be greatly appreciated .
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the users