| Re: Difference in the total charge density from ESM on4 ( No.1 )|
- Date: 2020/02/22 00:02
- Name: T. Ozaki
The case with
scf.Electric.Field 10.0 0.0 0.0
since -(-20)eV/20 Ang. = 1 eV/Ang. = 10 GV/m, where 20 Ang. is the length of a-axis.
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.