[Wien] How to calculate Band structure and DOS by the onsite hybrid method

[Abderrahmane Reggad]

Thanks again Dr Gavin

* I see that the procedure in w2web is different from that of terminal

* I couldn't understand why

use x lapw1 -band -dn -orb  when up is selected

and

use x lapw1 -band -up -orb  when dn is selected

* Do we make one plot for both spins or one plot for every spin?

Best regards

 --
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Adresse: BP 144 AL ATTAF AIN DEFLA
Tel: +213(0)561861963
Algerie
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