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charge density in a given energy range
Date: 2013/12/24 05:15
Name: J   <wony65@gmail.com>

Hi,

I am trying to do some charge density analysis.
I know that charge density is store as a gaussian cube format.

Is there any way I can calculate the charge density for states within a certain range of energy?


Thanks.
J
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Re: charge density in a given energy range ( No.1 )
Date: 2013/12/25 04:24
Name: T. Ozaki

Hi,

If you want to calculate partial charge density in an energy window measured
from the chemical potential, there is an instruction at
http://www.openmx-square.org/openmx_man3.7/node129.html


Regards,

TO
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Re: charge density in a given energy range ( No.2 )
Date: 2013/12/25 12:56
Name: J  <wony65@gmail.com>

Thanks Dr. Ozaki!
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