[Pw_forum] about metal and molecular dynamics

Wei Zhou zdw2000 at gmail.com
Wed Sep 26 10:14:58 CEST 2007


hello every body
     I have searched  the pwscf forum. and found some discuss about metal
and molecular dynamics. but I still feel puzzled . the main question is my
system is metal ,and  I want to do some variable cell dynamics . for QE
codes, it has been said there  have been two methods to do this ---PW.X and
CP. so my question is which is better for my aims
is QE3.2 can do this ?
thank you in advance.
-- 










ZhouDawei
JiLin Universiyt ,ChangChun ,China
zdw2000 at gmail.com
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