Back to the main page of this manual | Input reference of CP2K version 8.0 |
CP2K_INPUT /
FORCE_EVAL /
DFT /
QS /
XTB /
ATOM_PARAMETER
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xTB atom parameters in standard format
Element symbol eta gamma alpha Zeff label kpoly kappa Hen zeta nshell repeat the following block of lines) label kpoly kappa Hen zeta[Edit on GitHub] |
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This keyword can be repeated and it expects precisely one string. |
Back to the main page of this manual or the CP2K home page | (Last update: 30.12.2020) |