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Step in vacuum potentials

Posted: Fri Mar 23, 2007 5:18 pm
by des
Hi Everybody,
I would like to see the vacuum potential profile when two different surface are combined laterally in one unit cell along ( x-y), assuming z axis is the same. When they are separated, they have different vacuum potential but I just wanted what it will look like the step in potential when they are literately combined. Those surfaces have the same substrate but each are coated with two distinct atoms.
Thank you for your help

Step in vacuum potentials

Posted: Tue Mar 27, 2007 1:12 pm
by admin
please modify vtotav.f a litttle to accomplish that