[Pw_forum] spin in solve_e

[Dal Corso Andrea]

On Thu, 2009-02-05 at 22:15 +0100, Andrea Floris wrote:
> Dear users,
> I would like to have a confirmation: has LSDA (nspin=2) been implemented 
> in PH/solve_e.f90 (Electric Fields Calculation) in the last version of the 
> code? In version 3.2 an error occurred, in 4.0.2 the line has been 
> commented out. Was this comment written just to make the code not 
> stopping?
> 

I think nspin=2 is dealt with correctly in solve_e, but to simulate a
magnetic insulator with LDSA you need to constrain the magnetization and
DFPT with constraints is not implemented yet.
Using noncolin=.true. without constraints, instead should work in the
CVS version (this is now in a test phase so please report any bug you
can find).


Andrea



> thanks,
> Andrea
> 
> ---------------
>   Dr. Andrea Floris
>   Institut f"ur Theoretische Physik
>   Freie Universit"at Berlin
>   Arnimallee 14
>   D-14195 Berlin
>   Germany
>   Tel +49-30-838-53029
>   Fax +49-30-838-55258
>   e-mail: andrea.floris at fu-berlin.de
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Andrea Dal Corso                    Tel. 0039-040-3787428
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