[Pw_forum] Mass of the atomic for relax

[Paolo Giannozzi]

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