[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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