[Wien] cucle 1 LAPW2 not finished

Zahia Aboub aboubz at yahoo.com
Wed Oct 15 13:55:55 CEST 2014


I use calcul simple for propreté structural at Ni doped SrTiO3, 

I used the structure to attached  and in initialisation utilise separation energie=-6,  Rmt*Kmax=7 and K 

piont =1, but at scf (cucle 1 LAPW2 not finished )please halps mi 
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