[Pw_forum] Convergence in ZnAlO4

Winfred Mulwa mulwawinfred at gmail.com
Tue May 12 08:09:29 CEST 2015


Dear all,
I am running an  scf calculation on the attached input file, but its
not converging even after changing several parameters.
Please somebody help me to identify the problem.
Regards
Mulwa Winfred.
D Phil Student, Computational Material Science Group,
University of the Free State - QwaQwa,
South Africa.
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