[Wien] error in Fermi

[Lyudmila Dobysheva]

02.10.2023 09:49, shamik chakrabarti wrote:
> at the   4th iteration it shows an 
> error as below;
> "  'FERMI' -  INTEGRATION FAILED.....STOP IN DOS
>   'FERMI' -  RESULT OF INTEGRATION:  447.00000; SHOULD BE:  448.00000

Program couldn't find one electron that maybe has too high energy.
Maybe you have some unusual system, or some error, wrong lattice 
parameter, ghostbands? Or you calculate excited state and has removed 
one electron from case.in2, case.inm?
Without details it hard to say.

Best regards
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)