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INCAR-freq
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INCAR-freq
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SYSTEM = opt-3
ISTART = 0
ICHARG = 2
#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 = 31 ! (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
#IDIPOL=3
#LDIPOL=.TRUE.
LWAVE=F
LCHARG=F
#LSOL = .TRUE.
#EB_K = 78.400000
#TAU = 0.000000
#LAMBDA_D_K = 3.000000