Hi, thank you for the help. I did what you suggested and g-tensor and hyperfine work now.
Regards, Jarkko On 16 Aug 2014, at 18:43, Davide Ceresoli <davide.ceresoli at istm.cnr.it> wrote: > Dear Jakko, > it used to work in earlier version of Quantum-Espresso. > Please, change line 70 of gipaw_setup.f90 to: > > if (two_fermi_energies .and. lgauss) & > > and recompile. I'll commit the change as soon as possible. > > Best, > Davide > > > > On 08/15/2014 11:43 AM, Jarkko V?h?kangas wrote: >> 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 V?h?kangas <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 V?h?kangas >>> Ph.D student, University of Oulu, Finland >>> >>> >>> >>> _______________________________________________ >>> Pw_forum mailing list >>> Pw_forum at pwscf.org >>> http://pwscf.org/mailman/listinfo/pw_forum >> >> >> > > -- > +--------------------------------------------------------------+ > Davide Ceresoli > CNR Institute of Molecular Science and Technology (CNR-ISTM) > c/o University of Milan, via Golgi 19, 20133 Milan, Italy > Email: davide.ceresoli at istm.cnr.it > Phone: +39-02-50314276, +39-347-1001570 (mobile) > Skype: dceresoli > +--------------------------------------------------------------+ > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum
