The problem is resolved by increasing the number of k-points from 1 to 4 with regards,
On Tue, 3 Oct 2023 at 14:45, Lyudmila Dobysheva via Wien < wien@zeus.theochem.tuwien.ac.at> wrote: > 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: lyuk...@mail.ru (office), lyuk...@gmail.com (home) > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > -- Dr. Shamik Chakrabarti Research Fellow Department of Physics Indian Institute of Technology Patna Bihta-801103 Patna Bihar, India
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