[DFTB-Plus-User] How to go on the terminated task
jsxzzhangchao at 126.com
Thu Mar 7 13:24:13 CET 2013
Thank you very much for your assistence!
I calculate the molecular dynamics by using the SCC-DFTB, but the task stopped because the power was closed unexpectedly.
Now, I want to go on the unfinished task.
According to your reply, I need to take the final coordinates as input coordinates, and copy the charges.bin file
to the new folder and set ReadInitialCharges = Yes, and then start a new run, all right?
Any comment or suggestion is appreciated.
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