[Wien] (no subject)

[Zahia Aboub]

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=5 and K 

piont =1, but at scf (cucle 1 LAPW2C not finished but give WARNING:  EF not accurate  , new emin,emax,NE-min,NE-max  0.563205373690868) please halps mi 
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