[Wien] Spin polarised optical calculation with spin orbit

Fred Nastos nastos at physics.utoronto.ca
Tue Jul 27 18:01:42 CEST 2004


On July 26, 2004 11:41 am, Chukwuemeka Okoye wrote:
> Dear Fred,
>
> I had the same problem running with about 165 k -points in the IBZ.
> I am using wien2k version 4.
> I am using AMD Athlon processor 1000Mhz
> Compiler is ifc 7.1 with mkl 6.0

Can you try running with the prebuilt executables?

> Attached are the case.struct and case.inop files

I will try to run this sometime this week.  What happens
if you run optic with only one option, say <xx>?  Does it
work then?




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