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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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Re: Different values for the Polarization for the same system!! ( No.1 )
Date: 2016/06/23 13:21
Name: T. Ozaki

Hi,

Although the information you provided is limited, I am wondering
why cm^2 appears in the unit instead of cm^3.

Regards,

TO
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