[Pw_forum] Scf can converge, But Band can not converge

Eyvaz Isaev eyvaz_isaev at yahoo.com
Sat Dec 6 19:12:31 CET 2008

Dear Weiguang,

--- On Sat, 12/6/08, Weiguang Chen <chenweiguang82 at gmail.com> wrote:

Actually, there are 2 issues from your question.

>      c_bands:  1 eigenvalues not converged

This one is harmless, and it is not connected with the message you obtained. For this one please read Users Guide, Troubleshooting.

>      from davcio : error #        10
>      error while reading from file

As you can see the program  tells you that something is wrong with inut/output files, as corrupted files, full disk. etc. 
So, you can restart your job. If the error still exists, check whether your hard disk is full or you do not share a filname.

Please provide your affiliation.


Prof. Eyvaz Isaev, 
Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden 
Condensed Matter Theory Group, Uppsala University, Sweden 
Eyvaz.Isaev at fysik.uu.se, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com



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