[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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