[CP2K-user] Bulk Copper CELL_OPT oscillating
mdsimula... at gmail.com
mdsimula... at gmail.com
Mon Mar 18 14:26:25 UTC 2019
Hello,
I am attempting to optimize a copper cell (CP2K v. 6.1) using LBFGS. It'll
get to the 7th optimization step and then it seems like it's just
oscillating. I've attached my input and the output files. Any suggestions?
Thanks,
Stacey
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