[Pw_forum] fixed spin moment calculations
Eyvaz Isaev
eyvaz_isaev at yahoo.com
Wed Apr 4 23:14:39 CEST 2007
Hi Waheed,
I will like to do fixed spin moment calculations, .i.e. I want the
magnetization (such as 5.0 uB) to be kept fixed in my calculations.
Can anyone kindly suggest me the parameter(s) or how to specify the
options in the manual?
>From INPUT_PW
fixed_magnetization(3) REAL (default 0.d0)
value of the total magnetization to be maintained fixed when
constrained_magnetization='total'
Hopefully this is the one you need.
Bests,
Eyvaz.
Regards
Waheed
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