[Pw_forum] questions about the results of projwfc.x

[Paolo Giannozzi]

On Wed, 2014-05-21 at 20:09 +0800, H*X wrote:

> But I got confused that there is no shift of spin up and spin down,
> since we know that Fe atom is a ferromagnetic one.

you know, the code doesn't. In magnetic sytems you have either
to fix the magnetization, or to break symmetry.

P.

-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
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