Re: [Wien] Error - Fermi level was not found for doping

My case.output is dos normalization:    2.00      About to call read_input=== INPUT VARIABLES == Bandstyle: WIEN     Set fermi:   0Debug:  0FermiE:  0.1303. step size: 0.0005 Ecut: 0.3000. # val. e:  116.000Run type: CALCFourier expansion factor:

Re: [Wien] Error - Fermi level was not found for doping

Thank you Prof. Gavin Sir I  did not see any factorization error. or similar that I could fix with your inputs and my understanding.I also tried to run various calculations with Ipfac from 5 to 100 but the error still persists. What I see changes are the error occurred at different temperature v

Re: [Wien] Error - Fermi level was not found for doping

As mentioned at http://qe-forge.org/pipermail/pw_forum/2016-May/109991.html Maybe this happens when VBM, CBM, and Efermi are the same, and Egap is 0. In your case.outputtrans, are the values like that under the "OUTPUT from BANDANA" section? If so, I think it was mentioned at http://cms.mpi

[Wien] Error - Fermi level was not found for doping

Dear Users,After successful attempt of electronic, optical and magnetic properties, I tried to run Boltztrap calculation.In an alloyed compound with different doping level concentrations, I encountered below error. "Error - Fermi level was not found for doping" Please suggest me:What does it mea