[Pw_forum] tot_magnetization value

xirainbow nkxirainbow at gmail.com
Sat Sep 26 09:01:52 CEST 2009


Dear kajal jindal:

>
> secondly ,I want to know whether one should use spin polarized calculation
> for geometry optimizations/relaxation for the above system.If needed, should
> I paste my input file also?
>
> For you second question, you need to use *spin polarize* for your
optimization.

____________________________________
Hui Wang
School of physics, Nankai University, Tianjin, China
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