Note that your structure looks funny: Ga-As bond distance 1.35 A

Paolo
On 6/21/23 10:31, Paolo Giannozzi wrote:
On 6/21/23 00:44, Md. Jahid Hasan Sagor wrote:

Can anyone please help to identify why I am getting an error message while running the scf.in [] attached here. I couldn't find my mistakes to prepare the scf.in

there isn't any, but there is a missing piece of information here (more than one actually): how many MPI processes did you use?

P.

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