[Pw_forum] How to set starting_magnetization？

[Lorenzo Paulatto]

On 04/02/2013 01:50 AM, Yue-Wen Fang wrote:
> Dear all,
>
> starting_magnetization is used to build the starting guess for the
> input charge density so as to break the symmetry, but does it have
> something to do with the magnetism of an atom?

Starting with a reasonable guess of the ground state can make 
convergence faster. Please notice that starting_magnetization is 
assigned by atomic type, not by atom.

> Whether will it influence the final magnetism of a system?

Normally not (except for the trivial spin up/spin down inversion) but in 
some pathological case two distinct non-degenerate solutions could exist 
and be separated enough that the initial guess can matter.
>
> Thank you!
> Best regards!

you're welcome


-- 
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
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