[Wien] Different convergences in Non-SP and SP methods

Abderrahmane Reggad jazairdz at gmail.com
Thu Dec 29 12:10:23 CET 2016


Dear wien users

I have done the same calculation with 2 different and equivalent methods
and they gave me different results as it's shown in the joined picture.

1- Non Spin Polarized calculation GGA using the command run_lapw
2- Spin Polarized calculation GGA using the command runsp_c_lapw

This difference in results becomes an origin of problem when wanting to
determine the magnetic ground state

 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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