[Pw_forum] Magnetism

[xirainbow]

Try adding  "Emin=XXX,  Emax=XXX" in your pdos.in.


On Tue, Feb 25, 2014 at 7:27 PM, Winfred Mulwa <mulwawinfred at gmail.com> wrote:
> 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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-- 
____________________________________
Hui Wang
School of physics, Henan University of Science and Technology, Henan, China