[Wien] An error while performing SCF
Lyudmila Dobysheva
lyuka17 at mail.ru
Thu Apr 18 16:43:24 CEST 2013
18.04.2013 16:20, Muhammad Sajjad wrote:
> I am using wien2k_12 version. I tried to perform an SCF for a transition
> metal doped CdTe for 25 percent doping concentration. My system is
> Lenovo core i5 with 4GB ram.
> When SCF starts, it proceeds as
> LAPW0 END
> LAPW1 END
> LAPW1 END
> After this, SCF runs for long time on/lapw2c/
You should give much more information if something troubles you.
Best wishes
Lyudmila Dobysheva
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