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

[Geng Sun]

Hi,
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

Best,
Geng

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