[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
------------------
http://ftiudm.ru/content/view/25/103/lang,english/
Institute of Physics and Technology,
Udmurt Federal Research Center, Ural Br. of Rus.Ac.Sci.
426000 Izhevsk Kirov str. 132
Russia
---
Tel. +7 (34I2)43-24-59 (office), +7 (9I2)OI9-795O (home)
Skype: lyuka18 (office), lyuka17 (home)
E-mail: lyuka17 at mail.ru (office), lyuka17 at gmail.com (home)
More information about the Wien
mailing list