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On Wed, Jan 6, 2016 at 9:25 AM, Nazia Erum <> wrote:

> Hello to all wien2k community,
> I am using wien2k 11.1 and want to calculate optical properties of a
> non-spin polarized perovskite compound with no spin orbit coupling and no
> inversion symmetry. I am doing following steps:
>  I run normal scf with 5000 k points and converge energy.
> After convergence I run all optic option one by one but at the end the
> file crash.
> Please guide me about sequence of options to run optical properties.
> thanks in advance

Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
Corrosion in 4D:
Co-Editor, Acta Cryst A
"Research is to see what everybody else has seen, and to think what nobody
else has thought"
Albert Szent-Gyorgi
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