Dipole correction position in OUTCAR

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Dipole correction position in OUTCAR

Postby augolotti » Fri Apr 20, 2018 10:32 pm

Dear all,

I am adding a dipole correction to a slab calculation without setting the position explicitly. I looked into the OUTCAR file to get the coordinates of the point where the dipole is placed but I find only this line:
DIPCOR: dipole corrections for dipol
direction 3 min pos 181,

It seems that the position is reported as a certain point in a grid, but I cannot convert into any number related to my supercell. Can you help me in understanding this output?
Aldo Ugolotti

PhD student
Department of Materials Science
Università degli Studi di Milano-Bicocca
Milano, Italy
Posts: 5
Joined: Fri Mar 30, 2018 7:04 pm

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