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INCAR-raman
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INCAR-raman
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SYSTEM = opt-3
#ISTART = 0
#ICHARG = 2
#LWAVE=F
#LCHARG=F
#ISPIN = 2
ENCUT = 400
ISMEAR = 0
SIGMA = 0.1
GGA = RP
#IVDW= 11 ! DFT-D3
LREAL = Auto
EDIFF = 1e-5
#EDIFFG= -0.01
PREC = N
ALGO = F
NPAR=4
NELM = 400
NELMIN = 5
#NELMDL = -10
#NSW = 500
#POTIM = 0.4
#IBRION = 1 !low_accuracy use qn
#ISIF=2
#phonon
#! phonons
#ICHAIN = 1 ! Run the dynamical matrix code
#! IMAGES M ! Number of parallel images, if desired as in step 2 above; otherwise, do not add.
#NSW = 22 ! (DOF/M)+1 Number of ionic steps
#IBRION = 3 ! Tell VASP to run dynamics,
#POTIM = 0.0 ! with a time step of zero (ie, do nothing)
#ISYM = 0 ! Make sure that symmetry is off,
#EDIFFG = -1E-12 ! and that vasp does not quit due to low forces
#NWRITE=3
LEPSILON=T
ISYM=0
#IDIPOL=3
#LDIPOL=.TRUE.
#LSOL = .TRUE.
#EB_K = 78.400000
#TAU = 0.000000
#LAMBDA_D_K = 3.000000