[Pw_forum] Magnetism

Winfred Mulwa mulwawinfred at gmail.com
Tue Feb 25 12:27:14 CET 2014


Dear QE users,
I want to do a PDOS calculation on a TiO2 doped with Cr which
is magnetic. Attached is my input file. I have succeeded in doing the scf,
nscf, dos but when i do the PDOS, the calculation fails with an error
from davcio : error # 10
error while reading from file.
Please tell me what the problem is.
Regards.
Mulwa Winfred.
D Phil Student, Computational Material Science Group,
University of Eldoret,
Eldoret, Kenya.
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