[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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