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

Abderrahmane Reggad jazairdz at gmail.com
Mon Jan 16 13:40:09 CET 2017


Thanks Dr Gavin for your answer

- The the -eece flag exists for the script x lapw ( page 58 of the
usetguide (
http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf ) and I
tried it and it works well.

- Even for spaghetti I have executed the following command and it doesn't
give error but i don't know if it's correct or no.

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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