[Wannier] Multiple calls in library mode

[Arash Mostofi]

Dear Juergen,

Thanks for your email and for pointing out this "feature". It arises 
because the value of the logical variable first_pass, defined in 
wann_omega, is preserved between successive calls to wannier_run(). 
We'll be sure to fix this in the next release.

Best wishes and thanks once again,

Arash

:------------------------------------------------------------:
: Dr. Arash A. Mostofi           :: a.mostofi at imperial.ac.uk :
: Lecturer and RCUK Fellow       ::                          :
: Depts. of Materials & Physics  ::                          :
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Juergen Wieferink wrote:
> Hi list,
> 
> recently, I have implemented spin-polarization within my DFT code.
> The simplest way to adjust the interface to wannier90 seemed to be
> to call wannier_setup() and wannier_run() separatly for each spin
> channel.  But these subroutines are not designed to be called more
> than once within the run of a program.
> 
> After applying the attached patch, it seems to work, however.  Are
> there any other known problems with calling wannier_setup() and
> wannier_run() more than once?
> 
> Best regards,
> Juergen
> 
> 
> --
> Juergen Wieferink
> AG Pollmann
> Institute of Solid State Physics
> University of Muenster
> 
>