Call to routine ZHEEV failed

[sungeng]

hello everyone :
I have a probleme with doing MD calculation in VASP

The MD always fails after several hundreds of steps with a information as:
ERROR WAVPRE_NOIO: Call to routine ZHEEV failed

When the calculation fails, the OUTCAR always ends with lines like:
ENERGIE OF THE ELECTRON-ION-THERMOSTAT SYSTEM (eV)
---------------------------------------------------
% ion-electron TOTEN = -94.435535 see above
kinetic Energy EKIN = 0.221876 (temperature 343.30 K)
nose potential ES = 0.700374
nose kinetic EPS = 0.049224
---------------------------------------------------
total energy ETOTAL = -93.464061 eV

maximum distance moved by ions : 0.53E-03


Here is my INCAR
SYSTEM = Molecular Dynamics

ISTART = 0
ICHARG = 2
ISPIN = 1

ENCUT = 400
LREAL = Auto
PREC = Normal
NELM = 100
NELMIN = 6
EDIFF = 1E-4
NSW = 1000
IBRION = 0
ISIF = 0
NWRITE = 0
SMASS = 0.005
ISYM = 0
POTIM = 0.1
TEBEG = 300
NBLOCK = 1

ISMEAR = -1
SIGMA = 0.2

ALGO = Very_Fast
GGA = PE


LWAVE = .FAlSE
LCHARG = .FALSE

And what's the problem, and why the fault occurs?how to solve it ?
thank you for any suggestions!

[support_vasp]

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP