I did have read the manual and searched the forum and found two very related threads:
http://cms.mpi.univie.ac.at/vasp-forum/ ... php?4.1492
http://cms.mpi.univie.ac.at/vasp-forum/ ... .php?4.264
The helpful people ususally gave similar definition as that in manual. But as a newbie, I really don't know how to find/calculate the "center of the ionic contribution to the dipole moment in the cell". Can anyone give me some references/formulas to do it? The simple examples are more appreciable. In addition, my calculation contains hundreds of atoms in a cell. Is there any trick to easily find the DIPOL setting?
Can anyone give a simple example to describe how to set DIPOL for Berry phase calculation?
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chemknight
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Can anyone give a simple example to describe how to set DIPOL for Berry phase calculation?
Last edited by chemknight on Mon Mar 08, 2010 3:28 am, edited 1 time in total.
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support_vasp
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Re: Can anyone give a simple example to describe how to set DIPOL for Berry phase calculation?
Hi,
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