[CPMD-list] ELPOT via cpmd2cube
Eung-Gun Kim
eunggun.kim at chemistry.gatech.edu
Sun May 23 17:17:24 CEST 2004
Dear CPMD Users,
I am trying to calculate the electrostatic potential in the vacuum region of my
metal slab system. I obtained the desired potential profile after converting
ELPOT into a cube file by using cpmd2cube (v0.1.1). But I wonder if the sign of
the electrostatic potential thus created is correct. And is it in hartrees?
Thanks very much for reading.
Regards,
EKim
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