My Community

Hi.
I wonder if someone can check my POSCAR.
I keep receiving below message which I guess there's something wrong with my POSCAR.

| The distance between some ions is very small |
| please check the nearest neigbor list in the OUTCAR file |

Thank you.



si wire 3by2 2v 110 with H
5.4310
3.5355 0.0000 0.0000
0.0000 4.0000 0.0000
0.0000 0.0000 0.7071
32 24
Direct
0.0000 0.0000 0.0000
0.0000 0.2500 0.3536
0.3536 0.5000 0.3536
0.3536 0.7500 0.0000
0.7071 0.0000 0.0000
0.7071 0.2500 0.3536
1.0607 0.5000 0.3536
1.0607 0.7500 0.0000
1.4142 0.0000 0.0000
1.4142 0.2500 0.3536
1.7678 0.5000 0.3536
1.7678 0.7500 0.0000
2.1213 0.0000 0.0000
2.1213 0.2500 0.3536
0.0000 1.0000 0.0000
0.0000 1.2500 0.3536
0.3536 1.5000 0.3536
0.3536 1.7500 0.0000
0.7071 1.0000 0.0000
0.7071 1.2500 0.3536
1.0607 1.5000 0.3536
1.0607 1.7500 0.0000
1.4142 1.0000 0.0000
1.4142 1.2500 0.3536
1.7678 1.5000 0.3536
1.7678 1.7500 0.0000
2.1213 1.0000 0.0000
2.1213 1.2500 0.3536
0.0000 2.0000 0.0000
0.7071 2.0000 0.0000
1.4142 2.0000 0.0000
2.1213 2.0000 0.0000
-0.2236-0.1580 0.0000
0.2236-0.1580 0.0000
0.0000 2.1580 0.2236
0.0000 2.1580-0.2236
-0.2236 1.8420 0.0000
0.4835-0.1580 0.0000
0.9307-0.1580 0.0000
0.7071 2.1580 0.2236
0.7071 2.1580-0.2236
1.1906-0.1580 0.0000
1.6378-0.1580 0.0000
1.4142 2.1580 0.2236
1.4142 2.1580-0.2236
2.3449 0.4080 0.3536
-0.2236 0.4080 0.3536
2.3449 0.8420 0.0000
2.3449 1.4080 0.3536
-0.2236 0.8420 0.0000
-0.2236 1.4080 0.3536
1.8977-0.1580 0.0000
2.3449-0.1580 0.0000
2.1213 2.1580 0.2236
2.1213 2.1580-0.2236
2.3449 1.8420 0.0000

Very weird input. You have to leave a space between number and minus sign (bottom part of coordinates). Are you sure they are fractional coordinates anyway?

Cheers,

Alex

Thank you Alex.
As you mentioned, the problem was from the coordinate system.
I simply switch Direct to Cartesian then it runs.
I appreciate again.