Hi everyone,
I'm working on surface adsorption of some molecules in the presence of a constant external potential.When I set the direction of the applied potential to z (efield=XX, ldipol=.True., idipol=3), which is the exact direction of the electric field vectors (Arrows pointing upward, along the z direction of the unit cell, or the opposite)? Thanks.
Hieu
Direction of external electric field
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hadoan
Direction of external electric field
Last edited by hadoan on Tue Dec 04, 2012 2:07 am, edited 1 time in total.
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askhetan
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Direction of external electric field
If you've set idipol=3 (meaning the z direction), then a +ve value specified for efield implies field going inside the unit cell (other conventions being same) - i.e. pointing downwards. Though I am unsure about the difference between EFIElD and EFIELD PEAD, because if you look at the VASP manual, it talks of EFIELD PEAD when you search for response to external electric field.
<span class='smallblacktext'>[ Edited Tue Dec 04 2012, 11:16AM ]</span>
<span class='smallblacktext'>[ Edited Tue Dec 04 2012, 11:16AM ]</span>
Last edited by askhetan on Tue Dec 04, 2012 10:53 am, edited 1 time in total.
In the end, one must accept realism. Saying otherwise would be a denial of incompleteness.
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hadoan
Direction of external electric field
Thanks a lot!
Last edited by hadoan on Tue Dec 04, 2012 11:44 pm, edited 1 time in total.