[Wannier] Multiple calls in library mode

Juergen Wieferink wieferink at uni-muenster.de
Fri Sep 25 16:34:35 CEST 2009


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

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