[Wien] (no subject)

[Zahia Aboub]

salut 

I need calcul simple for propreté structural at Ni doped SrTiO3, I use primitive Cell, not spacegroup ( p ) I used the structure to attached and in initialization utilise separation energie=-6,  Rmt*Kmax=5 and K piont =1, but at scf (cucle 1 LAPW2C not finished and this is case dafile please halp mi.
Why modify at initialization tape?       
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