[Pw_forum] Using another basis set

[Paolo Giannozzi]

On Wednesday 10 May 2006 10:01, Diep Quang Vinh wrote:

> In the code pw, I know that we use plane wave as the basis set, 
> is it possible for us to import different set and run the code? 

"to import results obtained from different basis sets" is in
principle possible, even if not trivial. To use a different
basis set, you may want to use a different code.

> do you have an idea on how one calculates the KB projector
> within the code?

see attached, eq. 41 . Integrals are performed numerically 
on a radial grid.

P.
-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy
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