[Wien] Full hybrid methode

[Peter Blaha]

As I said just a few days ago:   Never run   x kgen     for a hybrid 
calculation.

Read the UG carefully about hybrid calculations. There are certain 
constrains in the logic for the k-mesh, which is different than for a 
normal GGA calculation.


Solution:   Hopefully, you have "saved" the calculation. Use


restore_lapw   save-file-name

Now follow the UG about bandstructure plotting with hybrid-DFT


Am 18.01.2021 um 18:34 schrieb djamel slamnia:
> Hi wien2k user,s
> I m trying to plot band structure with full hybrid in the following steps
> 1. x kgen
> 2.klist_band
> 3. run_bandplothf_lapw (lapw1 end. error in creat_stars 1)
> 4.case.insp
> How Can i dolce this error :  error in creat_stars 1
>
> Thanks in advance
>
>
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-- 
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Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-158801165300
Email: peter.blaha at tuwien.ac.at
WWW:   http://www.imc.tuwien.ac.at      WIEN2k: http://www.wien2k.at
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