[Pw_forum] IBM JS20 pw tests problems

Paolo Giannozzi giannozz at democritos.it
Fri Nov 21 18:21:24 CET 2008

Lazaro Calderin wrote:

> - berry tests ask to increase ecutrho

actually, the berry test is correct: the charge density with
the augmentation part calculated in real space is a little
bit inaccurate. With a slightly different FFT grid the check
on consistency is no longer passed. With higher charge cutoff
the error disappears.

Paolo Giannozzi, Democritos and University of Udine, Italy

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