[Pw_forum] problems with tpss pseudopotential

[Paolo Giannozzi]

On May 25, 2010, at 16:57 , shu xu wrote:

>                      ecutwfc = 40 ,
>                      ecutrho = 320 ,

I don't think meta-gga is implemented together with double grid.
In any case, you do not need the double grid, since meta-gga is
not implemenetd for ultrasoft PPs. Do not specify ecutrho.

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