[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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