[Pw_forum] Calculations of magnetic systems by pwscf

[Eyvaz Isaev]

Dear Raghani,

Unfortunately, I was not in the workshop and I don't
know what kind of reasons were provided for this.
Nevertheless, I did a lot of calculations for magnetic
systems and results were good. 

So, you should add the next lines into your input
file:

lsda=.true.,
starting_magnetization(1)=0.9,

where the index means the magnetization for a given
sort of atoms.  

Regards,
Eyvaz.
Theoretical Physics Department
Moscow State Institute of Steel and Alloys
   
--- Raghani Pushpa <pushpa at jncasr.ac.in> wrote:
> 
> Dear all,
> Can we do the calculations on magnetic systems by
> using pwscf? I heard in 
> the workshop that pwscf can not handle the magnetic
> systems but in the 
> code there is the provision for lsda calculations!
> 
> Thanks,
> Pushpa
> -- 
> 
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum


__________________________________________________
Do you Yahoo!?
Yahoo! Mail Plus - Powerful. Affordable. Sign up now.
http://mailplus.yahoo.com