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Using the POSCAR below, I did many static calculations, but when I try relaxing ions, vasp goes angry and says: "WARNING! The distance between some ions is very small | please check the nearest neigbor list in the OUTCAR file | I HOPE YOU KNOW WHAT YOU ARE DOING"! Actually Vasp complains after many ionic steps.


PdN2 in the Pyrite FeS2 (C2) Cubic Structure
-115.512
1.000000000 0.00000000 0.00000000
0.000000000 1.00000000 0.00000000
0.000000000 0.00000000 1.00000000
4 8
Selective dynamics
Direct
0.000000000 0.000000000 0.00000000 F F F
0.000000000 0.500000000 0.50000000 F F F
0.500000000 0.000000000 0.50000000 F F F
0.500000000 0.500000000 0.00000000 F F F
0.385 0.385 0.385 T T T
-.385 -.385 -.385 T T T
.885 .115 0.385 T T T
.115 .885 -.385 T T T
0.385 .115 .885 T T T
-.385 .885 .115 T T T
.885 0.385 .115 T T T
.115 -.385 .885 T T T


I appreciate any suggestion to solve this problem..

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