[Wien] w2web fat band plortting does not work with limited energy range in case.inq

Lyudmila Dobysheva lyuka17 at mail.ru
Thu Mar 30 12:43:13 CEST 2023


30.03.2023 14:22, Lyudmila Dobysheva via Wien wrote:
> -1.0   1.0           Emin  Emax
>     2                 number of atoms
>     3   1  0  1       iatom,qsplit,symmetrize,locrot
> 3   0  1  2          nL, l-values
> 0 0 1
>     4   1  0  1       iatom,qsplit,symmetrize,locrot
> 3   0  1  2          nL, l-values
> 0 0 1
> I'd say that 0 0 1 line (new axis z) should be only once:

No, I was wrong, I didn't pay attention to the locrot parameter

Best wishes
Lyudmila Dobysheva
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