How to stop MD, if SCF (inner/outer) doesn't converge?
Sharma SRK Chaitanya Yamijala
sharma... at gmail.com
Wed Sep 12 19:13:01 UTC 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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