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[abinit-forum] Ratsph for partial density of states

From: "Patrick B. Hillyard" <phillyar@stanford.edu>
To: <forum@abinit.org>
Subject: [abinit-forum] Ratsph for partial density of states
Date: Thu, 26 Jun 2008 11:49:59 -0700

Dear ABINITers,
In calculating the angular-momentum-resolved partial density of states, I am
having trouble deciphering the proper sphere radius to use for each atom.
The Bader surface is obviously non-spherical and has a minimum and maximum
radius. Should one of these be used or an average of the two?
Thanks,
Pat

[abinit-forum] Ratsph for partial density of states, Patrick B. Hillyard, 06/26/2008
- Re: [abinit-forum] Ratsph for partial density of states, matthieu verstraete, 06/26/2008