Hello,
In my case I’m investigating heterogeneous interfaces and I have system, which includes: Slab1+Slab2+Vacuum. Since Slab1 and Slab 2 have different work functions we should get spurious electric field in the vacuum due to Periodic Boundary Conditions.
If I use:
IDIPOL=3
LDIPOL= .TRUE.
should it compensate that spurious unphysical electric field ? Or I should apply additional external field to compensate it?
Thanks in advance.
IDIPOL and spurious electric filed
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Eugene
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IDIPOL and spurious electric filed
Last edited by Eugene on Thu Jul 19, 2007 6:42 pm, edited 1 time in total.
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admin
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IDIPOL and spurious electric filed
you need not apply an additional electric field for compensation
Last edited by admin on Fri Jul 27, 2007 11:48 am, edited 1 time in total.
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cenwanglai
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IDIPOL and spurious electric filed
how to add an additional electric field for compensaton?
Last edited by cenwanglai on Tue Mar 15, 2011 4:31 am, edited 1 time in total.
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cenwanglai
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IDIPOL and spurious electric filed
how to add an additional electric field for compensaton?
Last edited by cenwanglai on Tue Mar 15, 2011 4:31 am, edited 1 time in total.