[Pw_forum] Convergence

Winfred Mulwa mulwawinfred at gmail.com
Sat Jun 6 08:22:32 CEST 2015


Dear all,
I am doing the optical properties of TiO2 doped with Erbium, but my scf
calculation
is not converging. Please some body help. Attached is the input file.
Kind regards
Mulwa Winfred.
D Phil Student, Computational Material Science Group,
University of the Free State - QwaQwa,
South Africa.
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