[Wien] Fermi energy & SO calculation

Arena Konta wien2kuser at yandex.com
Wed Mar 29 17:03:04 CEST 2017


Dear prof. Tran,

I appreciate your prompt response. I understand that the k-mesh for the band structure plot is not suitable for calculations of DOS.

Please, if I understand correctly:
If I increase the number of K-points, then for DOS we use Efermi from case.scf2? The same for Fermi surface calculation? And for Band Structure we always use :FER *scf -last value (from saved data)?

Thank you

Arena


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