I applied the external electric field to the slab of Al(111) surface. one is 0.6 eV/angs, another is -0.6 eV/angs. the results indicate that the total energy and dipolement are different for this two situations (0.6 and -0.6),but the CHG diference (average for xy plane) (CHG0.6-CHG0.0 and CHG-0.6-CHG0.0) is nearly identical. In general, they would have reverse change trend with each other.I want to know the reason for this problem. Another problem is what is the meaning of +0.6 eV/angs and -0.6 ev/angs.
Thanks very much
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external electric field
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gutk
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external electric field
Last edited by gutk on Tue Dec 26, 2006 1:31 am, edited 1 time in total.
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admin
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external electric field
you have accounted for the reeversed field in the way you took the differences.
0.6 and -0.6 are the strengths of the external fields
0.6 and -0.6 are the strengths of the external fields
Last edited by admin on Wed Dec 27, 2006 2:09 pm, edited 1 time in total.