[Wien] SOC PDOS

[Peter Blaha]

You have to use the    qtl program for that.

Please read the UG how to set the input.

And of course, you have to edit case.int manually and set the proper 
column values.

On 03/02/2016 08:17 AM, Paresh Chandra Rout wrote:
> Dear all,
> I want to calculate PDOS in SOC case . I do not know how to set for the
> various J-bands interactively like we are setting for the e-g and t-2g bands
> by running *configure_int_lapw -b *. I searched in UG but did not find
> there. Can anybody guide me how to set bands for SOC interactively  ?
> Any help would be highly appreciated.
> w
>
> Kind Regards
> Paresh Chandra Rout
> Research Scolar
> Indian Institute of Science education and Research Bhopal
>
>
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                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
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