[Wien] Optical properties with SO coupling

[Karel Vyborny]

After optic, you proceed with joint and kram (see User Guide).

Cheers,

Karel


--- x ---
dr. Karel Vyborny
Fyzikalni ustav AV CR, v.v.i.
Cukrovarnicka 10
Praha 6, CZ-16253
tel: +420220318459


On Wed, 4 Oct 2017, lokanath patra wrote:

> Dear Wien2K experts,
> I am trying to calculate the optical properties of Ni with SO coupling. I
> have prepared my case.inop file which looks like
> 
> 
> 99999 1       number of k-points, first k-point
> -5.0 3.0 9999 Emin, Emax for matrix elements, NBvalMAX
> 3             number of choices (columns in *outmat): 2: hex or tetrag. case
> 1             Re xx
> 3             Re zz
> 7             Im xy
> OFF           ON/OFF   writes MME to unit 4
> 
> Then I proceeded with x opticc -so -up and got the three components i.e. Re
> xx, Re zz and Im xy in case.symmatup file.
> 
> From here, how should I proceed with the calculations so that I can get all
> these components in the case.absorpup file after x kram -up ?
> 
> As I want to proceed with MOKE calculations, I want the xy components also.
> Please help me.
> 
> Best regards,
> 
> Lokanath
> 
> --
> Lokanath PatraPh.D Scholar
> Dept. of Physics
> School of Applied and Basic Sciences
> Central University of Tamil Nadu
> Thiruvarur
> Tamil Nadu - 610101
> Ph no - +91-8675834507
> 
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