[Pw_forum] nspin=2/Band structure
nazari at iasbs.ac.ir
nazari at iasbs.ac.ir
Mon Feb 9 16:25:57 CET 2009
Dear Gabriele Sclauzero,
Sorry for forgetting my name.
You are wright but when I run spin polarized calculation along with
occupation=fixed or tetrahedra for calculating bands.x after nscf
calculation the program stops with this error:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
from bands : error # 1
The bands code with constrained magnetization has not been tested
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Would you please let me know what is the problem?
Regards
Fariba Nazari
IASBS
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