[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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