Hi there,
I have run both VASP 5.2.12 and VASP 5.3.3 for optical property of hydrogen with the following INCAR:
!------ INCAR for OPTICS -------!
LWAVE = .FALSE.
LCHARG = .FALSE.
LVTOT = .FALSE.
LPLANE = .FALSE.
ENMAX = 1000.00
PREC = Medium
NELM = 50
EDIFF = 1E-03
NSIM = 40
IWAVPR = 10
IBRION = 0
ISIF = 2
ISYM = 0
SMASS = -1
TEBEG = 62500
ISMEAR = -1
SIGMA = 5.39
IALGO = 48
LREAL = On
LOPTICS = .TRUE.
NPAR = 1
NSW = 1
POTIM = 0.5
NBANDS = 2250
!---------------------------------!
Obviously I set up "LOPTICS=.TRUE." and the code runs fine for a single step. At the end, there is no OPTIC file. Anybody has any ideas?
I tested both serial and MPI versions, but just NO OPTIC files which were not generated at all.
Thanks for your information!
No OPTIC file generated
Moderators: Global Moderator, Moderator
-
suxinghu
- Newbie
- Posts: 2
- Joined: Mon Jun 24, 2013 8:37 pm
No OPTIC file generated
Last edited by suxinghu on Mon Jun 24, 2013 8:53 pm, edited 1 time in total.
-
support_vasp
- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: No OPTIC file generated
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