[Pw_forum] pseudopotentials type

yumin qian yuminqian at gmail.com
Sun Oct 26 02:48:23 CET 2008


>
>  generally pseudopotetials can be divided into two classes GGA and LDA  by
> the exchange correlation   type,but there are many way to do it .the mostly
> used form are  USPP , NCPP ; TM,HGH, etc.

   My question are
   1   How to discern the downloaded psudopotentials from the PWSCF web site
,is it GGA  or LDA?
   2   Can I mix NCPP with USPP or PAW, or mix TM with HGH ,for different
types of atom in a multi-type atoms crystal calculation ?





-- 
Sincerely Y. M. Qian
Lab.of Condensed Matter Theory and Materials Computation
Institute of Physics
Chinese Academy of Sciences
Tel:  + 8610 8264 9147
E-Mail:yuminqian at gmail.com <E-Mail%3Ayuminqian at gmail.com>
P.O.Box 603   Beijing 100190
China
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