OPTIC - in OUTCAR file there is no dielectric function
Moderators: Global Moderator, Moderator
OPTIC - in OUTCAR file there is no dielectric function
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>
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>
Last edited by hakan on Fri Jul 01, 2011 11:21 am, edited 1 time in total.
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- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: OPTIC - in OUTCAR file there is no dielectric function
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.
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