Back to the main page of this manual | Input reference of CP2K version 2023.1 (Development Version) |
CP2K_INPUT /
FORCE_EVAL /
DFT /
LOW_SPIN_ROKS
ENERGY_SCALING {Real} ... |
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The scaling factors for each term added to the total energy. This list should contain one number for each term added to the total energy. [Edit on GitHub] | |
This keyword cannot be repeated and it expects a list of reals. |
SPIN_CONFIGURATION {Integer} ... |
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For each singly occupied orbital, specify if this should be an alpha (=1) or a beta (=2) orbital. This keyword should be repeated, each repetition corresponding to an additional term. [Edit on GitHub] | |
This keyword can be repeated and it expects a list of integers. |
Back to the main page of this manual or the CP2K home page | (Last update: 21.3.2023) |