My Community

I am a new vasp user.
I run a system with this POSCAR

LaGaO3 atom
1.00
7.8587000000000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 3.9293000000000000 0.0000000000000000
0.0000000000000000 0.0000000000000000 28.752700000000000
8 8 24
Selective
cartesian
0.000000000 0.000000000 -0.000000000 F F F
0.000000000 0.000000000 3.929339886 T T T
0.000000000 0.000000000 7.858679771 T T T
0.000000000 0.000000000 11.788019657 T T T
3.929339886 0.000000000 -0.000000000 F F F
3.929339886 0.000000000 3.929339886 T T T
3.929339886 0.000000000 7.858679771 T T T
3.929339886 0.000000000 11.788019657 T T T
1.964669943 1.964669943 1.964669943 F F F
1.964669943 1.964669943 5.894009829 T T T
1.964669943 1.964669943 9.823349714 T T T
1.964669943 1.964669943 13.752689600 T T T
5.894009829 1.964669943 1.964669943 F F F
5.894009829 1.964669943 5.894009829 T T T
5.894009829 1.964669943 9.823349714 T T T
5.894009829 1.964669943 13.752689600 T T T
0.000000000 1.964669943 1.964669943 F F F
0.000000000 1.964669943 5.894009829 T T T
0.000000000 1.964669943 9.823349714 T T T
0.000000000 1.964669943 13.752689600 T T T
1.964669943 0.000000000 1.964669943 F F F
1.964669943 0.000000000 5.894009829 T T T
1.964669943 0.000000000 9.823349714 T T T
1.964669943 0.000000000 13.752689600 T T T
1.964669943 1.964669943 -0.000000000 F F F
1.964669943 1.964669943 3.929339886 T T T
1.964669943 1.964669943 7.858679771 T T T
1.964669943 1.964669943 11.788019657 T T T
3.929339886 1.964669943 1.964669943 F F F
3.929339886 1.964669943 5.894009829 T T T
3.929339886 1.964669943 9.823349714 T T T
3.929339886 1.964669943 13.752689600 T T T
5.894009829 0.000000000 1.964669943 F F F
5.894009829 0.000000000 5.894009829 T T T
5.894009829 0.000000000 9.823349714 T T T
5.894009829 0.000000000 13.752689600 T T T
5.894009829 1.964669943 -0.000000000 F F F
5.894009829 1.964669943 3.929339886 T T T
5.894009829 1.964669943 7.858679771 T T T
5.894009829 1.964669943 11.788019657 T T T

and INCAR

System = LaGaO3

ISMEAR = 0
SIGMA = 0.05
ISPIN = 2
ENCUT = 400.00 eV
NELM = 300
ISIF = 2
NSW = 100
IBRION = 2
EDIFF = 1E-5
IDIPOL = 3
LCORR = .TRUE.

The iteration stop with a few ionic step with the return error code Error EDDDAV: Call to ZHEGV failed. Returncode = 25 2 8
I have noidea how to fix this problem. If anyone know please advise.
Thank you for advance.

Hi,

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