[Wien] Number of orbitals in spin-polarized hybrid calculation

[Peter Blaha]

It is number of orbitals per spin.

Am 29.10.2022 um 19:07 schrieb pboulet:
> Dear all,
> 
> I have a question regarding the number of orbitals to set in the 
> case.inhf file when one wants to run a spin-polarized calculation: is it 
> the total number of orbitals (up+down) or the number of orbitals per spin?
> 
> Thank you
> Best regards,
> Pascal
> 
> 
> 
> Pascal Boulet
> —
> /Professor in computational materials chemistry - DEPARTMENT OF CHEMISTRY/
> University of Aix-Marseille - Avenue Escadrille Normandie Niemen - 
> F-13013 Marseille - FRANCE
> Tél: +33(0)4 13 55 18 10 - Fax : +33(0)4 13 55 18 50
> Email : pascal.boulet at univ-amu.fr <mailto:pascal.boulet at univ-amu.fr>
> 
> 
> 
> 
> 
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