[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




More information about the users mailing list