[CP2K-user] Dipole correction vacuum abort
cp...@gmail.com
cpash... at gmail.com
Mon May 17 13:36:20 UTC 2021
Hello,
I have been attempting to calculate a few thin films between 1nm and 5nm in
thickness but I often get moments during the optimization cycles where the
dipole correction that I enforce aborts the calculation.
I find this incredibly odd given that the amount of vacuum to offset this
error I have recently applied is 50 A.
My current compilation where I have discovered this issue is cp2k 6.1, and
I have encountered this across a few materials.
Any ideas on how to solve these issues? I can provide more details upon
request.
Christopher
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