[Wien] fold2bloch: unfolded band-structure plot have addition bands

[Peter Blaha]

Resent from Oleg Rubel:

Dear Asif,

I reproduced your problem. It happens during plotting and related to the 
way a distance is calculated between a segment in k space and a point.

The GitHub now contains an updated version of plotting scripts 
(https://github.com/rubel75/fold2Bloch-Wien2k/tree/master/Utils).

There is _no_ need to recompile fold2bloch or redo WIEN2k calculation.

Enclosed is the unfolded band structure of 2H-WS2 (2x2x2 supercell) vs 
WIEN2k primitive cell to verify that it works.

Thank you for the bug report!

Best regards
Oleg


Am 11.01.2022 um 17:53 schrieb Asif Ali:
> Dear Sir,
> 
> Thankyou for your response. Yes, I am working with WS2 and similar 
> systems. At the moment,  I was doing LDA calculation and I plan to do 
> LDA+SO calculations.
> 
> Regards
> Asif
> 

-- 
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WIEN2k: http://www.wien2k.at
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