Re: [Wien] Error during optimization of spinel compound CoFe2O4

[Nacir GUECHI]

Hi.I think this is due to the following factors:
- set  RMT reduction to -1% and mixing factor to 0.1
my greetings **
Nacir GUECHI
Docteur en Physique du solide.Enseignant-Chercheur à l'université du Dr. Yahia 
FARES de Médéa,  Algeria (www.univ-media.dz).Laboratoire d'études des surfaces 
et interfaces des matériaux solides (L.E.S.I.M.S), université Sétif1 
(Algeria)http://laboratoires.univ-setif.dz/L.E.S.I.M.S/ 

Le Mardi 22 mars 2016 8h47, GM RAI  a écrit :
 

 

Dear all we are facing the following trouble while optimization of spinel 
compound.

ERROR status in OPT_vol__-2.0
>   stop error

 LAPW1 END
 LAPW1 END
 LAPW0 END
PS: We have did this calculation for -5 0 5 as well but found the same error


Kindly guide to overcome this problem.

Best wishes

-- 
Dr. G. Murtaza


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[Wien] Error during optimization of spinel compound CoFe2O4

[GM RAI]

Dear all we are facing the following trouble while optimization of spinel
compound.

ERROR status in OPT_vol__-2.0
>   stop error

 LAPW1 END
 LAPW1 END
 LAPW0 END

PS: We have did this calculation for -5 0 5 as well but found the same error



Kindly guide to overcome this problem.

Best wishes

-- 
Dr. G. Murtaza
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Wien@zeus.theochem.tuwien.ac.at
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