[CP2K-user] [CP2K:16636] cp2k

[Thomas Kühne]

Dear Dusan, 

SCF cycle not converging is not uncommon. However, 
it’s hard to give any sensible advice without your input 
and output files … 

Best, 
Thomas Kühne

> Am 23.02.2022 um 19:23 schrieb DSCCC3 <dusan.cocic91 at gmail.com>:
> 
> Hi Everyone,
> 
> I am getting a very annoying qs_scf.F:539 SCF run NOT converged, increasing the OUTER_SCF number didnt help, any one similar encounters?
> 
> Best,
> Dusan.
> 
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==============================
Thomas D. Kühne
Dynamics of Condensed Matter
Chair of Theoretical Chemistry
University of Paderborn
Warburger Str. 100
D-33098 Paderborn
Germany
thomas.kuehne at upb.de
+49/(0)5251/60-5726

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