[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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