[Wien] Run SCF for Supercell ZnO:Mg
Murat Aycibin
aycibin at gmail.com
Thu Jan 28 08:09:20 CET 2021
Hi guys
I have been trying to run SCF of ZnO with Mg. I have built ZnO supercell
and replace one Zn with Mg. after that, i have done initial calculation.
everything is fine and no error. when i go for SCF i am getting below error
> stop error
grep: lapw2*.error: No such file or directory
LAPW1 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW1 END
LAPW0 END
hup: Command not found.
What should i do_ how i can come over from this problem.
Thanks for suggestion
--
Yrd Doc Dr. Murat Aycibin
Van Yuzuncu Yil Universitesi
Fizik Bolumu
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