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
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forsdan
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Error
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
Best regards,
/Dan
Last edited by forsdan on Thu Jan 03, 2008 3:42 pm, edited 1 time in total.