Dear VASP Users and Experts,
I need some orientation to point in the right direction,..
I like to calculate the surface dipole moment induced by the saturation of the surface.
Let's say I have a Ge(111) and Ge(111)-CH3 surface where the CH3 are added to the top
and the bottom layer, so always the slab model is symmetric and neutral.
Now the question is calculated the dipole formed at surface due the the saturation
with CH3 group on the Ge(111). I have the LOCPOT and the CHGCAR files.
Any idea pointing in the good direction will be appreciated..
Many thanks in advanced
Surface Dipole moment
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Oscar_rp
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Surface Dipole moment
Last edited by Oscar_rp on Fri Feb 11, 2011 10:45 am, edited 1 time in total.
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support_vasp
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Re: Surface Dipole moment
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
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