[Wien] Error during optimization of spinel compound CoFe2O4

2016-03-22 Thread 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 -

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

2016-03-22 Thread 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-m