ERROR FEXCF:supplied exchange-correlation table is too small

[deepashri]

Dear All,

I am getting following error while optimizing a monolayer having vacuum of 12Angstrom,

###################################################################################################
WARNING: Sub-Space-Matrix is not hermitian in DAV 10
-0.249457526494363
DAV: 5 -0.146118915545E+02 0.41352E-02 0.35853E+02 1984 0.308E+01BRMIX: very serious problems
the old and the new charge density differ
old charge density: 22.00000 new 6058.80162
0.845E+03
ERROR FEXCF: supplied exchange-correlation table
is too small, maximal index : 11653
#####################################################################################################

I am using VASP-5.4 with latest pseudopotentials including kinetic energy density, as I wish to use METAGGA for band calculations later. Following is my INCAR file,

ISTART = 0
INIWAV = 1
NWRITE = 2
LWAVE = .TRUE.
PREC = medium
EDIFF = 1.0E-6
EDIFFG = -0.001

ISPIN = 2
ISMEAR = 0
SIGMA = 0.001

ICHARG = 2
LCHARG = .TRUE.

ISYM = 1

NELMIN = 4
NELM = 80
NELMDL = 0
NBANDS = 16

IBRION = 1
ISIF = 3
NSW = 500
POTIM = 0.4

ALGO = F
LDIAG = .TRUE.

LPETIM = .FALSE.
LREAL = .FALSE.
LORBIT = 1
NPAR = 2
NSIM = 28
LPLANE = .TRUE.

LELF = .FALSE.

I have tried changing various parameters, but some other errors appear, such as,

ERROR in subspace rotation PSSYEVX: not enough eigenvalues found

Could anybody post the possible source of error?

Thanks.
Deepashri.

[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