[Pw_forum] gamma phonon calculation error using phcg.x

Paolo Giannozzi giannozz at democritos.it
Thu Sep 13 17:00:21 CEST 2012


On Thu, 2012-09-13 at 20:24 +0530, Bramha Pandey wrote:

>      from cg_readin : error #         1
>      double grid not implemented

>             ecutwfc =95,
>                      ecutrho = 550

4*95 = 380 < 550. You are uyusing a grid for charge density 
that is different from the one for Kohn-Sham orbitals

P.

-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy





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