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[abinit-forum] Band energies reference value

From: "Saniz Balderrama Rolando" <Rolando.Saniz@ua.ac.be>
To: <forum@abinit.org>
Subject: [abinit-forum] Band energies reference value
Date: Sat, 14 Feb 2009 16:10:01 +0100

Dear all,

I would like to ask what the band energies reference value is. I guess a practical choice is the G=0 component of the Fourier representation of the total Kohn-Sham potential (this is just the average of the potential over the unit cell, which one can also easily calculate from the grid values output setting prtpot==1). But I don't know if this is what is done in Abinit.

Thanks for your time!

Rolando Saniz

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[abinit-forum] Band energies reference value, Saniz Balderrama Rolando, 02/14/2009