[Pw_forum] functional

[Paolo Giannozzi]

On Mar 18, 2010, at 19:43 , Fang, Yuan wrote:

> How can we change different functional used in the self-consistent  
> calculation
> for atom, like from LDA to GGA? Is there any variable to control this

yes, "input_dft"

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