Step in vacuum potentials

Queries about input and output files, running specific calculations, etc.


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des
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Step in vacuum potentials

#1 Post by des » Fri Mar 23, 2007 5:18 pm

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
Last edited by des on Fri Mar 23, 2007 5:18 pm, edited 1 time in total.

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Step in vacuum potentials

#2 Post by admin » Tue Mar 27, 2007 1:12 pm

please modify vtotav.f a litttle to accomplish that
Last edited by admin on Tue Mar 27, 2007 1:12 pm, edited 1 time in total.

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