[CP2K-user] What is the default unit of dipole for ions?
Shao-Chun Lee
k501... at gmail.com
Sat Jun 6 00:48:37 UTC 2020
Hi,
When using CP2K_INPUT <https://manual.cp2k.org/trunk/CP2K_INPUT.html> /
FORCE_EVAL <https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL.html> /
SUBSYS <https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/SUBSYS.html> /
MULTIPOLES
<https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/SUBSYS/MULTIPOLES.html>
/ DIPOLES
<https://manual.cp2k.org/trunk/CP2K_INPUT/FORCE_EVAL/SUBSYS/MULTIPOLES/DIPOLES.html> to
specify the dipole of each ion, what unit should I assume? Is it Debye,
atomic unit (e*bohr), or e*Angstrom?
Thanks,
Lee, Shao-Chun
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