Dipole correction position in OUTCAR
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Dipole correction position in OUTCAR
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?
Thanks.
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?
Thanks.
Aldo Ugolotti
PhD student
Department of Materials Science
Università degli Studi di Milano-Bicocca
Milano, Italy
PhD student
Department of Materials Science
Università degli Studi di Milano-Bicocca
Milano, Italy
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Re: Dipole correction position in OUTCAR
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
Best wishes,
VASP