Back to the main page of this manual | Input reference of CP2K version 2023.1 |
CP2K_INPUT /
FORCE_EVAL /
SUBSYS /
MULTIPOLES /
DIPOLES
{Real} {Real} {Real} |
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The dipole components for each atom in the format: Dx Dy Dz |
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This keyword can be repeated and it expects precisely 3 reals. |
Back to the main page of this manual or the CP2K home page | (Last update: 31.12.2022) |