Back to the main page of this manual | Input reference of CP2K version 2023.1 (Development Version) |
CP2K_INPUT /
FORCE_EVAL /
SUBSYS /
VELOCITY
{Real} {Real} {Real} |
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The atomic velocities in the format: vx vy vz The same order as for the atomic coordinates is assumed. [Edit on GitHub] |
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This keyword can be repeated and it expects precisely 3 reals. |
PINT_UNIT {Word} |
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Specify the units of measurement for the velocities (currently works only for the path integral code). All available CP2K units can be used. [Edit on GitHub] | |
This keyword cannot be repeated and it expects precisely one word. | |
Default value:
bohr*au_t^-1 |
Back to the main page of this manual or the CP2K home page | (Last update: 24.3.2023) |