[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
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