Did you use the default convergence criterium (-ec 0.0001) or a better
one ? With default options these curves are the "same".
On 12/29/2016 12:10 PM, Abderrahmane Reggad wrote:
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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P.Blaha
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