I am experiencing error while performing band structure calculation of a heterostucture with SOC in VASP 5.4.4 version and onwards. The non collinear scf calculation converges well with KPOINTS 9X9X3. The WAVECAR and CHGCAR files are used in bandstructure calculation from the previous scf calculation with SOC, getting an error after few iteration.

Here is the output part:

scaLAPACK will be used

LDA part: xc-table for Pade appr. of Perdew

WARNING: stress and forces are not correct

POSCAR, INCAR and KPOINTS ok, starting setup

FFT: planning ...

WAVECAR not read

reading imaginary part of occupancies ...

charge-density read from file:

reading imaginary part of occupancies ...

magnetization density read from file 1

reading imaginary part of occupancies ...

magnetization density read from file 2

reading imaginary part of occupancies ...

magnetization density read from file 3

WARNING: random wavefunctions but no delay for mixing, default for NELMDL

entering main loop

N E dE d eps ncg rms rms(c)

DAV: 1 0.959810364934E+03 0.95981E+03 -0.35791E+04199424 0.104E+03

DAV: 2 0.131539025132E+03 -0.82827E+03 -0.74218E+03221632 0.386E+02

DAV: 3 -0.383002857031E+02 -0.16984E+03 -0.15579E+03267352 0.190E+02

DAV: 4 -0.573764753553E+02 -0.19076E+02 -0.18179E+02269256 0.108E+02

DAV: 5 -0.593514972859E+02 -0.19750E+01 -0.19368E+01269280 0.390E+01

DAV: 6 -0.596009578060E+02 -0.24946E+00 -0.24704E+00269264 0.161E+01

DAV: 7 -0.596383571984E+02 -0.37399E-01 -0.37186E-01269104 0.612E+00

DAV: 8 -0.596448288270E+02 -0.64716E-02 -0.64482E-02269176 0.269E+00

DAV: 9 -0.596894557043E+02 -0.44627E-01 -0.44345E-01269032 0.113E+00

DAV: 10 -0.632773912324E+02 -0.35879E+01 -0.37999E+01268832 0.683E-01

DAV: 11 -0.806390907508E+02 -0.17362E+02 -0.23792E+02267816 0.136E+00

DAV: 12 -0.143300045858E+03 -0.62661E+02 -0.92771E+02238756 0.420E+00

DAV: 13 -0.158707491290E+03 -0.15407E+02 -0.11892E+03198152 0.859E+00

DAV: 14 -0.136003115993E+03 0.22704E+02 -0.85774E+02171292 0.756E+00

DAV: 15 -0.111891472612E+03 0.24112E+02 -0.42607E+02158832 0.619E+00

DAV: 16 -0.130039979946E+03 -0.18149E+02 -0.71618E+02158772 0.780E+00

DAV: 17 -0.141455725856E+03 -0.11416E+02 -0.63283E+02157684 0.801E+00

DAV: 18 -0.109948491337E+03 0.31507E+02 -0.50447E+02151836 0.859E+00

DAV: 19 -0.135680614611E+03 -0.25732E+02 -0.65236E+02145304 0.700E+00

DAV: 20 -0.149691146014E+03 -0.14011E+02 -0.76345E+02142088 0.855E+00

DAV: 21 -0.181860540409E+03 -0.32169E+02 -0.10548E+03141296 0.860E+00

DAV: 22 -0.195697512780E+03 -0.13837E+02 -0.13418E+03140828 0.100E+01

DAV: 23 -0.234030553384E+03 -0.38333E+02 -0.16470E+03138784 0.844E+00

DAV: 24 -0.155819619352E+03 0.78211E+02 -0.75084E+02136684 0.964E+00

DAV: 25 -0.234606191034E+03 -0.78787E+02 -0.13812E+03136044 0.104E+01

DAV: 26 -0.414919829864E+03 -0.18031E+03 -0.32061E+03136008 0.105E+01

DAV: 27 -0.169346076319E+03 0.24557E+03 -0.96573E+02134904 0.116E+01

...

WARNING: Sub-Space-Matrix is not hermitian in DAV 4

-1.048541014100126E-005

WARNING: Sub-Space-Matrix is not hermitian in DAV 4

WARNING: Sub-Space-Matrix is not hermitian in DAV 4

WARNING: Sub-Space-Matrix is not hermitian in DAV 4

WARNING: Sub-Space-Matrix is not hermitian in DAV 4

-1.048541014100126E-005

WARNING: Sub-Space-Matrix is not hermitian in DAV 4

WARNING: Sub-Space-Matrix is not hermitian in DAV 4

WARNING: Sub-Space-Matrix is not hermitian in DAV 4

-1.048541014100126E-005

WARNING: Sub-Space-Matrix is not hermitian in DAV 4

-1.048541014100126E-005

-1.048541014100126E-005

WARNING: Sub-Space-Matrix is not hermitian in DAV 4

-1.048541014100126E-005

WARNING: Sub-Space-Matrix is not hermitian in DAV 4

WARNING: Sub-Space-Matrix is not hermitian in DAV 4

-1.048541014100126E-005

WARNING: Sub-Space-Matrix is not hermitian in DAV 4

-1.048541014100126E-005

WARNING: Sub-Space-Matrix is not hermitian in DAV 4

-1.048541014100126E-005

WARNING: Sub-Space-Matrix is not hermitian in DAV 4

INCAR:

ICHARG = 11

ENCUT = 500

EDIFF = 1.0E-5

NELM = 350

LREAL = Auto

LMAXMIX = 4

# ====================

ISYM = -1

IVDW = 1

ISPIN = 2

#=====

ISMEAR = 0

SIGMA = 0.01

PREC = Accurate

LWAVE = .FALSE.

LORBIT = 11

# =====GGA+U=====

LDAU = .TRUE.

LDAUTYPE = 2

LDAUL = 2 2 -1

LDAUU = 4.0 2.0 0.0

LDAUJ = 1.0 0.5 0.0

LDAUPRINT = 1

# ====================

LPLANE=.TRUE.

KPAR = 2

NCORE = 6

SIM = 4

#============SOC======

LNONCOLLINEAR = .TRUE.

LSORBIT =.TRUE.

SAXIS = 0 1 0

NBANDS = 180

LORBMOM = .TRUE.

MAGMOM = 0 4 0 0 4 0 0 -3 0 0 -3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0

Anyone please suggest on this