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[abinit-forum] Vacuum level


Chronological Thread 
  • From: Marsusi <fmarsusi@yahoo.com>
  • To: forum@abinit.org
  • Subject: [abinit-forum] Vacuum level
  • Date: Mon, 17 Nov 2008 06:24:22 +0100 (CET)

Dear all,
How can one calculate the vacuum energy of a box, where a molecule is placed
in
it, in order to compare the band structure of the molecule relative to vacuum
level.
Regards
F.



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