Hi,
I've been trying to run some cNEBs for compression of a methylthiolate species between Cu(100) slabs. However, the calculation seems to be tremendously slow (10+ days with 6 nodes 12 cores/node). Is there anything in the INCAR here that I can change to speed up the process?
SYSTEM = cNEB MeS ...
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- Thu Feb 21, 2019 1:05 pm
- Forum: VTSTTools
- Topic: NEB calculation seems to be tremendously slow
- Replies: 1
- Views: 11781