[Wien] how to tell w2web that it is a SOC calculation?

[Peter Blaha]

Go to "run SCF"  , activate "spinorbit", and then activate "only save 
parameters". Click on "start SCF".
It will not execute, but only activate SO.

Am 14.10.2024 um 14:57 schrieb pluto via Wien:
> Dear All,
> 
> When SOC calculation is performed using command line then w2web does not 
> know that it was a SOC calculation.
> 
> This makes the w2web band structure plotting tool inconvenient (one 
> needs to use the command line for the sequence of lapw1 -band, lapwso, 
> lapw2 -band...).
> 
> Is there a way to fix this?
> 
> Best,
> Lukasz
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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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