Re: [Wien] fast direct vs indirect band gap check

2016-10-31 Thread Pavel Ondračka
"Hi, No, these 2 k-points are indicated nowhere, but maybe we should do it. F. Tran " Thanks for the fast response, that would be definitely a nice addition for next release. Best regards Pavel Ondračka ___ Wien mailing list Wien@zeus.theochem

Re: [Wien] fast direct vs indirect band gap check

2016-10-31 Thread tran
: [Wien] fast direct vs indirect band gap check Dear Wien2k mailing list, the case.scf2 file contains the GAP value, can I find somewhere in the scf* or output* files also the two kpoints corresponding to this gap, eg. positions of the bottom of the conduction band and top of the valence band? I

[Wien] fast direct vs indirect band gap check

2016-10-31 Thread pavel.ondracka
Dear Wien2k mailing list, the case.scf2 file contains the GAP value, can I find somewhere in the scf* or output* files also the two kpoints corresponding to this gap, eg. positions of the bottom of the conduction band and top of the valence band? I can of course plot the band structure or go ove