[Pw_forum] Mass of the atomic for relax

[Paolo Giannozzi]

On Mar 17, 2008, at 19:28 , Álvaro Alves wrote:

> Hi. I'm trying to do a calculation with spin-orbit
> coupling. However, in my input file always appears
>
> from setup : error #         1
> gamma_only and noncolin not allowed.
>
> My grid is
>
> K_POINTS{automatic}
> 2 1 1 0 0 0
>
> What can be happening?

please provide the entire input data file and specify which
version exhibits such behavior

Paolo
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222