Re: Difference in the total charge density from ESM on4 ( No.1 ) 
 Date: 2020/02/22 00:02
 Name: T. Ozaki
 Hi,
The case with
scf.Electric.Field 10.0 0.0 0.0
corresponds to
ESM.switch on4 ESM.buffer.range 0.0 ESM.potential.diff 20.0
since (20)eV/20 Ang. = 1 eV/Ang. = 10 GV/m, where 20 Ang. is the length of aaxis. The minus sign is just due to the definition in the implementation of ESM.
Actually, the two calculations give a nearly equivalent result for the difference in the total charge density with repect to the zero bias case.
Regards,
TO

