[Pw_forum] Band structure of non-metallic antiferromagnet

[Paolo Giannozzi]

On Dec 17, 2010, at 15:06 , Silvia Bahmann wrote:

>    starting_magnetization(1) = 1,
>    starting_magnetization(2) = -1,
>    tot_magnetization = 0
>
> This is considered as constrained magnetization which is not allowed
> to use with the bands code.

the bands code should simply ignore these variables because they are
never used in band structure calculations. If it complains, just remove
those variables from the input of the band structure calculation

P.
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Paolo Giannozzi, Dept of Chemistry&Physics, Univ. Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222