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Polarization by Berry's phase
Date: 2016/03/27 01:10
Name: Guilherme Maia   <guisawyer@yahoo.com.br>

Hi,
I'm new user of the OpenMX and I am trying to follow the User's Manual of OpenMX Ver. 3.7 to try understand how works this software.

In the manual, pag 118, the are a example how calculate the polarization of the NaCl,
and there are some values that appear that I don't understand where they came from...
like 2.541747 and the 0.529177

Can anyone help me??

Thanks!!
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Re: Polarization by Berry's phase ( No.1 )
Date: 2016/03/27 19:04
Name: T. Ozaki

Hi,

They are just factors to covert Debye and Angstrom to atomic unit.

Regards,

TO
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Re: Polarization by Berry's phase ( No.2 )
Date: 2016/03/29 02:19
Name: Guilherme Maia  <guisawyer@yahoo.com.br>

Really Thanks!!
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