No OPTIC file generated
Posted: Mon Jun 24, 2013 8:53 pm
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!
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!