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DSCCC3
Feb 23, 2022, 1:23:26 PM2/23/22
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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.
Thomas Kühne
Feb 24, 2022, 2:24:18 PM2/24/22
to 'Dorothea Golze' via cp2k
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
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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
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