My Community

dear all,

i have a problem.
i want to calculate optical properties in VASP.
for HfO2 compunds. and LDA+u approximation
this is my INCAR file

SYSTEM = HfO2 BULK
ISTART = 0
ICHARGE= 2
ISYM = 2
NPACO = 256
NELM = 40
NELMIN = 8
PREC = HIGH
NPAR = 1
LREAL = .TRUE.
LELF = .TRUE.
EDIFF = 1E-6
IBRION = 8
ISIF = 4
ENCUT = 500
NBANDS = 30
LOPTICS = .TRUE.
LEPSILON = .TRUE.
LRPA = .FALSE.
NEDOS = 2000
LNABLA = .TRUE.
LDAUU = .TRUE.
LDAUTYPE = 2
LDAUL = 2 -1
LDAUU = 6.0 0.0
LDAUJ = 1.0 0.0
LDAMAXMIX = 4
LDAPRINT = 2
ISPIN = 2
MAGMOM = 2 -2 2*0




and KPOINTS:
Monkhorst
0
Monkhorst
10 10 10
0 0 0

when i want to calculate, end of the running in OUTCAR there is no "real dielectric function" and "imaginary dielectric function".
and DYNMAT file does not consist. because of that I can not see the results of optical properties required to see.

if you can helpful to me, i will be very happy.
have a nice day!

<span class='smallblacktext'>[ Edited ]</span>

Hi,

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