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WAVECAR and KPOINTS

Posted: Wed Mar 16, 2022 9:58 am
by IBRAHIM
Dear All,

As I know, we can not continue with WAVECAR if we change the KPOINTS mesh.

So my concern why in bandstructure with zero weight KPOINTS we can use WAVECAR, however, the number of KPOINTS changed?

Is the reason due to only weighted KPOINTS used for SCF in bandstrucure so we can use WAVECAR?

Many thanks in advance,
Ibrahim

Re: WAVECAR and KPOINTS

Posted: Wed Mar 16, 2022 11:06 am
by marie-therese.huebsch
Hi Ibrahim

Yes, that is the reason. You got it.

Best,
Marie-Therese

Re: WAVECAR and KPOINTS

Posted: Wed Mar 16, 2022 11:09 am
by IBRAHIM
Thank you very much.

Ibrahim