[Pw_forum] About the md in pwscf.
Hongsheng Zhao
zhaohscas at yahoo.com.cn
Fri Jul 1 13:14:28 CEST 2011
Hi all,
I've some puzzles on the md method fulfilled in pwscf.
I know should be cp-based md within the pwscf. The issue of mine is:
for which properties/systems should I consider to do a md relative
calations using pwscf (md, vc-md)? Thank your for any hints.
Best
--
Hongsheng Zhao <zhaohscas at yahoo.com.cn>
School of Physics and Electrical Information Science,
Ningxia University, Yinchuan 750021, China
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