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

Abderrahmane Reggad jazairdz at gmail.com
Mon Jan 16 23:38:00 CET 2017


Thank you Dr Gavin for the detailed explanation

Can we adopt this procedure for band structure

 x lapw1(c) -band -up -orb   # eece potential is included by orb

 x lapw1(c) -band -dn -orb

 x spaghetti (-c) -up

 x spaghetti (-c) -dn


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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