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

[Abderrahmane Reggad]

Hello again

According to the notes of Elias Assmann (
http://susi.theochem.tuwien.ac.at/reg_user/textbooks/WIEN2k_lecture-notes_2013/ldau.pdf)
the program flow of the EECE method is as follows:

runsp -eece

- lapw0 lapw1 -orb -up,dn
 -lapw2 -up,dn
- lcore -up,dn
 -lapwdm -up,dn
- lapw2 -eece -up,dn
- lapw0 -eece orb -up,dn
- mixer -eece

and apw1 -orb includes EECE potential

Thanks to all

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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