[CP2K:4452] Re: Error in charges increases every OUTER_SCF cycle.

Florian Schiffmann flosch... at gmail.com
Sat May 18 18:56:36 CEST 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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