DOSCAR issue

[dmazumdar]

Hi,

I am experiencing a weird thing which i did not notice before. For this last calculation, I find that my DOSCAR file has DOS only upto 6eV above Ef, even though EMAX in INCAR is set at 20 eV above Ef. Rest is all zero DOS. I am expecting unoccupied states to appear much above this energy (bands are showing them), but not sure how to get them in DOS. Any tips will be appreciated...My INCAR is as follows:

SYSTEM = BFO_R3C_Rom (VASP)

PREC = high
ENCUT = 500.000
IBRION = -1
NSW = 00
ISIF = 2 % only internal relaxation
ALGO = Normal (Davidson and RMM-DIIS)
NELM = 100
NELMIN = 4
EDIFF = 5.0e-05
EDIFFG = -0.001
VOSKOWN = 1
NBLOCK = 1
ISPIN = 2
MAGMOM = 0 0 3 -3 0 0 0 0 0 0
INIWAV = 1
ISTART = 0
ICHARG = 1 % chargecar from U=5.0
LWAVE = .FALSE.
LCHARG = .TRUE.
ADDGRID = .TRUE.
ISMEAR = -5
SIGMA = 0.2
LREAL = .FALSE.
RWIGS = 1.46 1.2 1.55
LORBIT = 11

LPLANE=.TRUE.
NPAR=8
NSIM=4

LDAU = .TRUE.
LDAUTYPE = 2
LDAUL = -1 2 -1
LDAUU = 0 5.5 0
LDAUJ = 0 0.0 0
LDAUPRINT = 1
LMAXMIX = 4


EMIN=-30.0
EMAX=25.0
NEDOS=3500

[tilak]

grep NELECT and NBANDS in your OUTCAR.......you will see NBANDS will be nealy 20-25% larger than the 1/2*NELECT

So, if you need more unoccupied bands just increase the NBANDS to double or triple .......Check how much is suitable for your system.