How to stop MD, if SCF (inner/outer) doesn't converge?

Sharma SRK Chaitanya Yamijala sharma... at gmail.com
Wed Sep 12 21:13:01 CEST 2018


Hi,

Is there a way to stop the MD run, if SCF (inner/outer) doesn't converge? 
After going through the "motion/MD" section in the reference manual, I 
couldn't find it (Maybe I have overlooked!).

Thanks,
Sharma.
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