[Pw_forum] Mass of the atomic for relax
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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