Different values for the Polarization for the same system!! |
- Date: 2016/06/07 22:02
- Name: Guilherme Maia
<guisawyer@yahoo.com.br>
- Hi OpenMx Users,
I did the calculation the polarization for the same system, the only difference are one the cell are 1 x 1 x 1 and the other is a supercell 2x2x2...
For the system 1x1x1 the Polarization value are: 68 muC/cm^2 and for 2x2x2 14 muC/cm^2
How I used a supercell, I have to do something?
Thanks!!
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