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vasp tutorial - hands on 3

Posted: Thu May 11, 2006 9:00 pm
by ashinde
For the Ni 400 eV work function exercise, (pg 20) there is a statement that says "usage of a simple utility vtotav gives planar average of the potential". I'm assuming that gives the plot on the right hand side, with data from LOCPOT. This then gives the vaccuum potential of 5.46 eV?
What exactly is vtotav?
I want to do a similar work function calculation.
thanks.

vasp tutorial - hands on 3

Posted: Tue May 16, 2006 10:27 pm
by ashinde
I found a related forum thread.