[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
-------------- next part --------------
A non-text attachment was scrubbed...
Name: w90-recallable.patch
Type: text/x-diff
Size: 1605 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20090925/0cd6bf1e/attachment.bin>
More information about the Wannier
mailing list