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by Hopper1313
Tue Nov 20, 2018 4:33 pm
Forum: VTSTTools
Topic: Speeding up calculation
Replies: 0
Views: 17362

Speeding up calculation

Hello all, 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 ...