[Wien] Should we use -redklist during run_ bandplothf_lapw?

[Peter Blaha]

I was not sure if I actually should answer this, as it is so trivial

What should you do when you are not sure about the usage of a WIEN2k 
script: Use the  -h  option !

run_bandplothf -h

run_bandplothf_lapw prepares a bandstructure plot for hybrid-DFT 
calculations.
The steps are (use identical options [-redklist -diaghf -so -up/-dn 
-in1orig] as during scf):
prepare CaCl2.klist_band (as usual)
run_bandplothf_lapw [-p -qtl -redklist -diaghf -mode1/2/3 -so -up/-dn 
-in1orig]
x spaghetti -hf [-p]

I guess the answer is pretty clear ....

Am 09.02.2023 um 15:28 schrieb shamik chakrabarti:
> Dear Wien2k users,
>
>      After getting a solution using HSE06, during the band structure 
> plotting when we use case.klist band, should we use
> run_ bandplothf_lapw -up/dn -redklist?
>
> Looking forward to listening from you.
>
> With regards,
> -- 
> Dr. Shamik Chakrabarti
> Research Fellow
> Department of Physics
> Indian Institute of Technology Patna
> Bihta-801103
> Patna
> Bihar, India
>
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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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