Queries about input and output files, running specific calculations, etc.
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acharyachethan
#1
Post
by acharyachethan » Mon Oct 16, 2006 6:53 pm
Hi
I have a couple of questions regarding electric field.
The unit of electric field in the forum says eV/A. Shouldn't it be something like V/A?
IDIPOL sets the direction of the electric field. If I set Efield=0.1 and IDIPOL=3, the z direction will be set. If I want to reverse the direction in z, can I set Efield= -0.1?
Thanks!
Last edited by acharyachethan on Mon Oct 16, 2006 6:53 pm, edited 1 time in total.
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lcyin
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#2
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by lcyin » Fri Aug 17, 2007 6:41 am
If you want to reverse the direction in z, I think a quick method is to rebuild your supercell by reverse coordinates in z direction.
Last edited by
lcyin on Fri Aug 17, 2007 6:41 am, edited 1 time in total.