[Pw_forum] question about input files in pseudopotential library

Paolo Giannozzi giannozz at democritos.it
Thu Nov 17 22:49:19 CET 2011


On Nov 17, 2011, at 22:21 , Jia Chen wrote:
>   tm=.true.
> [...] As far as I know,  tm=.true. means the pseudopotential
> is in Troullier-Martins form.

no, it means that the Troullier-Martins pseudization is used
(instead of the Rabe-Rappe-Kaxiras-Joannopoulos pseudization)
but not that the pseudopotential is generatedin the semi-local
form (pseudotype=1)

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222







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