For small molecule adsorption on one side of oxide slab , no external electrical field added, dipole correction can be included with IDIPOL = 3 to the normal direction to the slab.
Then, LDIPOL = TRUE is needed for the neural system?
LDIPOL = TRUE is needed for Neutral slab system?
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cenwanglai
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LDIPOL = TRUE is needed for Neutral slab system?
Last edited by cenwanglai on Sat Mar 19, 2011 1:46 am, edited 1 time in total.
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support_vasp
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Re: LDIPOL = TRUE is needed for Neutral slab system?
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