[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
 
_______________________________________________
Pw_forum mailing list
Pw_forum at pwscf.org
http://www.democritos.it/mailman/listinfo/pw_forum





 
____________________________________________________________________________________
8:00? 8:25? 8:40? Find a flick in no time 
with the Yahoo! Search movie showtime shortcut.
http://tools.search.yahoo.com/shortcuts/#news



More information about the users mailing list