[Wien] Hubbard calculation

[Peter Blaha]

Did you initialize with the "-sp" (spin-polarized) option ?

Did you run properly  init_orb -orb  ?

What is in the error files ?

Am 27.09.2023 um 09:10 schrieb Murat Aycibin:
> Hi
> I am trying to perform LiCoO2 calculation using hubbard methods. when 
> ı wanna do SCF run ı am using runsp_lapw -orb or runsp_c_lapw -orb and 
> ı am getting error. and error says scf1up. no such file... what should 
> ı do?
>
> -- 
> Yrd Doc Dr. Murat Aycibin
> Van Yuzuncu Yil Universitesi
> Fizik Bolumu
>
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-- 
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Peter Blaha,  Inst. f. Materials Chemistry, TU Vienna, A-1060 Vienna
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