[Pw_forum] How to deal with semicore states with Norm conserving PP?

lan haiping lanhaiping at gmail.com
Wed Oct 24 13:09:00 CEST 2007


Dear All,

  I just found that opium package cannot generate ncpp for elements
including semicore states .
Is there any other scheme for norm conserving pseudopentials  can take
semicore states into account for pwscf calculation ?

Bests,

Hai-Ping

-- 
Hai-Ping Lan
Department of Electronics ,
Peking University , Bejing, 100871
lanhaiping at gmail.com, hplan at pku.edu.cn
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20071024/91e02a9c/attachment.htm 


More information about the Pw_forum mailing list