Dipole correction position in OUTCAR
Posted: 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?
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.