[Pw_forum] GIPAW (svn rev. 394) problems with g-tensor

[Jarkko Vähäkangas]

Hi again,

I apologize to bother forum users with this issue again. Has anybody had this particular problem? I just want to have workable gipaw to calculate EPR...  

BR, Jarkko

On 13 Aug 2014, at 14:14, Jarkko Vähäkangas <jarkko.vahakangas at oulu.fi> wrote:

> Hello QE and GIPAW developers,
> 
> I get following error message when I try to run GIPAW (svn rev. 394) for EPR (g-tensor/hyperfine) in QE with svn rev. is 11137:
> 
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> 	task #	1
> 	from gipaw_setup : error #
> 	GIPAW + two Fermi energies not implemented
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> 
> So, have you any idea where is the problem? Otherwise GIPAW works without errors (e.g. NMR module).  
> 
> I appreciate any help regarding this issue.
> 
> Regards
> Jarkko Vähäkangas
> Ph.D student, University of Oulu, Finland
> 
> 
> 
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