[Pw_forum] pseudopotentials type

Paolo Giannozzi giannozz at democritos.it
Sun Oct 26 19:29:49 CET 2008


On Oct 26, 2008, at 2:48 , yumin qian wrote:

>  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.

please do not confuse
- the XC functional upon which a PP is based
- the different types of pseudization (ultrasoft/normconserving)
- the different ways to produce a required type of pseudization
(TM, RRKJ, HGH etc)
---
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222






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