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Error

Posted: Fri Dec 28, 2007 12:03 pm
by mumu03101
Whem I caculated,the code hint that the distance between some ions is very small ,please check the nearest neigbor list in the OUTCAR file
What I can do ? I have examined the POSCAR. Is it possible that some question in my INCAR?

Error

Posted: Thu Jan 03, 2008 3:42 pm
by forsdan
Have you checked and made sure of that no atoms overlap at the volume edges? If you havn't already done so, it can be helpful to plot the positions with some graphic program (xcrysden, matlab, etc...) to verify that everything looks ok. Possibly look at if you're entering the positions by using cartesian or direct coordinates. Perhaps the resulting distances are to short.

Best regards,
/Dan