[CP2K-user] [CP2K:17441] optimize BAND image by image

Geng Sun sungengdft at outlook.com
Sun Aug 7 09:18:37 UTC 2022

During the BAND optimization, is that possible to calculate the energies/forces of images one by one instead of distributing the CPUs over the images?
If the code can calculate the forces and energies one by one, it will need less memory and CPUs (although slower).

Thank you very much


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