Hi,
I am trying to run eOn with ext_pot as the option for potential. l used the binary ‘ext_pot’ to call cp2k to calculate the energy and forces. But it seems to be extremely slow. I tested on the pt system using the example in akmc-pt. With the build-in morse_pt potential, it only took ~5 seconds ...
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- Tue Nov 10, 2020 9:23 pm
- Forum: eOn
- Topic: Question about running eOn with external potential
- Replies: 1
- Views: 64413