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
+--------------------------------------------------------------+
