[Pw_forum] questions about vc-relax or geomtry optimization
jideson
jideson at gmail.com
Mon Aug 20 03:25:58 CEST 2007
Dear experts,
I read some emails about vc-relax in this list, but still have
some questions. It seems that geometry optimization (both cell and
atomic postions) in pwscf is a diffcult job than other softwares such as
CASTEP. Can you give me a step-by-step tutorial ?
By the way , another question , are there differences between cp.x
and cpmd(www.cpmd.org) code ? Thanks!
Best regards
Jideson
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