[Pw_forum] Model pseudopotential

Paolo Giannozzi giannozz at democritos.it
Mon Dec 6 09:32:44 CET 2010

On Dec 6, 2010, at 6:34 , Mahmoud Payami wrote:

> Is it possible to do pwscf calculations with a simple model  
> pseudopotential
> (for example, Ashcroft empty-core) without doing much effort on pw  
> code?

if the model pseudopotential can be written as a "normal"
pseudopotential in separable form, you just have to fill
the pseudopotential file with what you want

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

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