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unit of energie in potential files


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  • From: Stephan Kremers <kremers@physik.rwth-aachen.de>
  • To: forum@abinit.org
  • Subject: unit of energie in potential files
  • Date: Wed, 13 Dec 2006 14:26:14 +0100

Hello,
my question is about the UNIT of energies in special outputfiles,

One of my output-files is the Hartree-Potential (with prtvha), but this file is not an ascii-file. To analyse the _VHA file, I used cut3d. There I used some options (e.g. option 6)) to get energy values for the potential at some special points in my unit cell. In the '/Infos/abinis_help.html' I find the sentence: "...These are defined on the real space grid in hartree energy units..."
So my question:
Is it really true, that the energetical values for the potentials are in 'Hartree'?
(In my further studies, these values seems quiet high. It seems, that cut3d offers me values in 'eV', but I am not sure...)




  • unit of energie in potential files, Stephan Kremers, 12/13/2006

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