Dear All,
I'm trying to calculate the static dielectric constant in a bulk perovskite.
This is comparatively large system
1.00000000000000
23.5804004668999987 0.0000000000000000 0.0000000000000000
0.0000000000000000 9.8221998214999999 0.0000000000000000
0.0000000000000000 0.0000000000000000 17.1207008362000010
Eu S O N H C
8 20 124 16 232 64
Direct
0.3035240006161741 0.7044972780750686 0.6088067019479594
0.6964805902531316 0.2954869898532566 0.1088101149644477
1. First I have relaxed the system
2. Now i'm using this INCAR
SYSTEM = Eu-DABCO full static dielectric finite differences
ISTART = 0
ICHARG = 2
ISPIN = 1
ENCUT = 520
PREC = Accurate
EDIFF = 1E-8
NELM = 250
NELMIN = 6
ALGO = Normal
LREAL = .FALSE.
ADDGRID = .TRUE.
LASPH = .TRUE.
ISMEAR = 0
SIGMA = 0.01
IVDW = 12
LCALCEPS = .TRUE.
IBRION = 6
NFREE = 2
POTIM = 0.015
NSW = 1
ISYM = 2
SYMPREC = 1E-5
LWAVE = .FALSE.
LCHARG = .FALSE.
K-Spacing Value to Generate K-Mesh: 0.020
0
Gamma
1 1 1
0.0 0.0 0.0
The calculation runs due to the limit of the walltime.
My questions are
1. Is this setup correct?
2. What strategy can I use to restart the calculation when stops
Thank you

