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

[fabien.tran at vasp.at]

Both in spin-polarized and non-spin-polarized calculations, nband is the 
number of orbitals per spin.

On 29.10.2022 19:24, Peter Blaha wrote:
> 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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