[CP2K:4452] Re: Error in charges increases every OUTER_SCF cycle.
Florian Schiffmann
flosch... at gmail.com
Sat May 18 16:56:36 UTC 2013
Hi John,
there is another parameter to tune. FULL_ALL uses the ENERGY_GAP option,
which is used as a scaling factor (usually improves convergence). Setting
this to a higher value (0.5) could help there as well.
Flo
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