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Re: Re: [abinit-forum] about dos and integrated dos


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  • From: Matthieu Verstraete <mjv500@york.ac.uk>
  • To: forum@abinit.org
  • Subject: Re: Re: [abinit-forum] about dos and integrated dos
  • Date: Wed, 10 Oct 2007 10:54:02 +0100 (BST)


This is simple enough: you are looking at quantities in #electrons/eV and #electrons/Ha (1Ha = 27.2113834 eV).

If they are in the same file, this is an error. It could be that the flag input variable (enunit) to use eV instead of the default Ha is ignored in the integrated DOS output (are you using enunit?). This would be an actual bug. To be checked.

Matthieu

--
================================================================
Dr. Matthieu Verstraete mailto:mjv500@york.ac.uk
Dept. of Physics, University of York, tel: +44 1904 43 22 08
Heslington, YO10 5DD York, United Kingdom fax: +44 1904 43 22 14



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