[CP2K-user] What are the default units of hartree potential and electric field in cp2k?

[Kaixuan Chen]

Dear all,
I have generated the cube files of hartree potential (CP2K_INPUT 
<https://manual.cp2k.org/cp2k-8_1-branch/CP2K_INPUT.html> / FORCE_EVAL 
<https://manual.cp2k.org/cp2k-8_1-branch/CP2K_INPUT/FORCE_EVAL.html> / DFT 
<https://manual.cp2k.org/cp2k-8_1-branch/CP2K_INPUT/FORCE_EVAL/DFT.html> / 
PRINT 
<https://manual.cp2k.org/cp2k-8_1-branch/CP2K_INPUT/FORCE_EVAL/DFT/PRINT.html> 
/ V_HARTREE_CUBE 
<https://manual.cp2k.org/cp2k-8_1-branch/CP2K_INPUT/FORCE_EVAL/DFT/PRINT/V_HARTREE_CUBE.html>) 
and electric field (CP2K_INPUT 
<https://manual.cp2k.org/cp2k-8_1-branch/CP2K_INPUT.html> / FORCE_EVAL 
<https://manual.cp2k.org/cp2k-8_1-branch/CP2K_INPUT/FORCE_EVAL.html> / DFT 
<https://manual.cp2k.org/cp2k-8_1-branch/CP2K_INPUT/FORCE_EVAL/DFT.html> / 
PRINT 
<https://manual.cp2k.org/cp2k-8_1-branch/CP2K_INPUT/FORCE_EVAL/DFT/PRINT.html> 
/ EFIELD_CUBE 
<https://manual.cp2k.org/cp2k-8_1-branch/CP2K_INPUT/FORCE_EVAL/DFT/PRINT/EFIELD_CUBE.html>) 
from cp2k. I don't see an explicit description on the units that are used 
in these cube files. If I take the a.u. as the default unit (hartree/e for 
potential, and hartree/e/bohr for electric field), the value seems pretty 
large. For example, I study the single water molecule system. The largest 
electric field at some density grid is 10~15 hartree/e/bohr, that is, 
~50000 MV/cm. Please correct me if I am wrong, but the value seems 
unreasonable to me.
Any suggestion will be welcome, thanks in advance.
Best,
Kai
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