[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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