[Pw_forum] Mass of the atomic for relax

Paolo Giannozzi giannozz at nest.sns.it
Tue Mar 18 09:27:58 CET 2008

Álvaro Alves wrote:

> Hi. The input file is in annex. The version is 3.2.

...and there are 121 atoms according to the vale of 'nat',
120 in the list, so the code reads and misinterprets the
K_POINTS card and the following ome. Didn't you notice
this in your output?
    Warning: card  2 1 1 1 1 1 ignored

Paolo Giannozzi, Democritos and University of Udine, Italy

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