[CP2K-user] CHECK_ATOMIC_CHARGES
Evelyn Navarro
easa... at gmail.com
Tue Mar 30 02:46:42 UTC 2021
Hello,All
I would like to know about CHECK_ATOMIC_CHARGES, which is used in XTB.Can't
it be turned off?If it's F, does it have to be the wrong answer?Are there
any cases where it's F?
Best wishes,
Evelyn
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