Re: [Wien] (no subject)

Did you execute irrep (probably for a non-symmorphic SG) ?? rm case.irrepbeforex spaghetti Am 22.04.2019 um 10:56 schrieb Mansouri Tahar: Dear all, I am running optimization of the Fe-Si structure under a cubic symmetry. After performing volume cell optimization I tried to calculated

[Wien] (no subject)

Dear all, I am running optimization of the Fe-Si structure under a cubic symmetry. After performing volume cell optimization I tried to calculated the electronic properties especially the band structure. Unfortunately I have got the following error message: ERROR: incorrect classes 0.4u 0.0s 0: