"LAPACK: Routine ZPOTRF failed" error occurred in VASP CI-NEB calculation

[tracy]

Hi,
I used interpolatePOS to generate 13 images which are written in 13 subdirectories named 00, 01, 02.....10, 11, 12. Then I did a CI-NEB calculation to found the transition state of my supercell, but VASP stopped with a error said "LAPACK: Routine ZPOTRF failed", also there is a warning :"The distance between some ions is very small". I don't know what the problems are. Could you please help me figure it out? I would appreciate your help! INCAR and out file are attached. Also My POSCAR file for interpolatePOS is attached
INCAR:
SYSTEM= transition state
PREC=Med
EDIFF=1e-05
EDIFFG=-0.01
ISMEAR=1
SIGMA=0.1
VOSKOWN=1
IBRION=3
#IBRION=1
LCLIMB=.TRUE
ICHAIN=0
SPRING=-5
LREAL=Auto
IMAGES=11
ISIF=2
POTIM=0.01
NSW=100
ISPIN=2
MAGMOM=32*4 0
ENCUT=350.0

out file:
01/POSCAR found : 2 types and 33 ions
LDA part: xc-table for Ceperly-Alder, Vosko type interpolation para-ferro
00/POSCAR found : 2 types and 33 ions
12/POSCAR found : 2 types and 33 ions

-----------------------------------------------------------------------------
| |
| W W AA RRRRR N N II N N GGGG !!! |
| W W A A R R NN N II NN N G G !!! |
| W W A A R R N N N II N N N G !!! |
| W WW W AAAAAA RRRRR N N N II N N N G GGG ! |
| WW WW A A R R N NN II N NN G G |
| W W A A R R N N II N N GGGG !!! |
| |
| 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 |
| |
-----------------------------------------------------------------------------

POSCAR, INCAR and KPOINTS ok, starting setup
WARNING: wrap around errors must be expected
FFT: planning ... 14
reading WAVECAR
LAPACK: Routine ZPOTRF failed! 21

POSCAR:

rep 13
3.4838013
2 0 0
0 2 0
0 0 2
32 1
C
0.000000 0.000000 0.000000
1.000000 0.000000 0.000000
0.000000 0.000000 1.000000
0.000000 1.000000 0.000000
1.000000 0.000000 1.000000
0.000000 1.000000 1.000000
1.000000 1.000000 0.000000
1.000000 1.000000 1.000000
0.500000 0.500000 0.000000
1.500000 0.500000 0.000000
0.500000 0.500000 1.000000
0.500000 1.500000 0.000000
1.500000 0.500000 1.000000
0.500000 1.500000 1.000000
1.500000 1.500000 0.000000
1.500000 1.500000 1.000000
0.500000 0.000000 0.500000
1.500000 0.000000 0.500000
0.500000 0.000000 1.500000
0.500000 1.000000 0.500000
1.500000 0.000000 1.500000
0.500000 1.000000 1.500000
1.500000 1.000000 0.500000
1.500000 1.000000 1.500000
0.000000 0.500000 0.500000
1.000000 0.500000 0.500000
0.000000 0.500000 1.500000
0.000000 1.500000 0.500000
1.000000 0.500000 1.500000
0.000000 1.500000 1.500000
1.000000 1.500000 0.500000
1.000000 1.500000 1.500000
0.000000 0.000000 0.500000
Fe32:
3.4838013
2 0 0
0 2 0
0 0 2
32 1
C
0.000000 0.000000 0.000000
1.000000 0.000000 0.000000
0.000000 0.000000 1.000000
0.000000 1.000000 0.000000
1.000000 0.000000 1.000000
0.000000 1.000000 1.000000
1.000000 1.000000 0.000000
1.000000 1.000000 1.000000
0.500000 0.500000 0.000000
1.500000 0.500000 0.000000
0.500000 0.500000 1.000000
0.500000 1.500000 0.000000
1.500000 0.500000 1.000000
0.500000 1.500000 1.000000
1.500000 1.500000 0.000000
1.500000 1.500000 1.000000
0.500000 0.000000 0.500000
1.500000 0.000000 0.500000
0.500000 0.000000 1.500000
0.500000 1.000000 0.500000
1.500000 0.000000 1.500000
0.500000 1.000000 1.500000
1.500000 1.000000 0.500000
1.500000 1.000000 1.500000
0.000000 0.500000 0.500000
1.000000 0.500000 0.500000
0.000000 0.500000 1.500000
0.000000 1.500000 0.500000
1.000000 0.500000 1.500000
0.000000 1.500000 1.500000
1.000000 1.500000 0.500000
1.000000 1.500000 1.500000
0.500000 0.500000 0.500000

[tracy]

Any suggestions, please? Thanks a lot!

[tracy]

Any suggestions, please? Thanks a lot!

[admin]

please read the warnings and check the interatomic distances (they are written in OUTCAR): You use carthesian coordinates in your POSCAR, I hope you have realized that! the distances between some of your atoms are 0.707 Ã… which is completely unreasonable

[tracy]

Dear admin,
Thanks a lot! You are right, I used the wrong coordinates!