INCAR

SYSTEM = Generic Input

start Parameters
  NWRITE     = 2      ! Medium-level information output
  ISTART     = 1      ! read existing wavefunction; if there
  INIWAV     = 1      ! Random initial wavefunction; otherwise
  ICORELEVEL = 1      ! Print core levels
  !ICHARG     = 11     ! Non-selfconsistent: GGA/LDA band structures
  !NBANDS     = 130    ! No. bands

parallelisation
  NCORE  = 10         ! No. cores per orbital
  !LPLANE = .TRUE.     ! Real space distribution; supercells
  !KPAR   = 2          ! K-point parallelisation
  
electronic relaxation
  PREC    = Accurate  ! Precision level
  ALGO    = Fast      ! SCF minimisation algorithm; 38/48 combo
  ENCUT   = 500       ! Plane-wave cutoff
  NELM    = 200       ! Max SCF steps
  NELMIN  = 2         ! Min SCF steps
  EDIFF   = 1E-05     ! SCF energy convergence
  GGA     = PS        ! PBEsol exchange-correlation
  LASPH   = .TRUE.    ! Non-spherical elements; d/f convergence
  !LREAL   = auto      ! Projection operators: automatic
  !ADDGRID = .TRUE.    ! Increase grid; helps GGA convergence
  !IVDW = 11           ! Grimme's D3 VDW correction

ionic relaxation
  EDIFFG = -0.01      ! Ionic convergence; eV/AA^3
  NSW    = 0          ! Max ionic steps
  IBRION = 1          ! Algorithm: 0-MD; 1-Quasi-New; 2-CG
  ISIF   = 3          ! Stress/relaxation: 2-Ions, 3-Shape/Ions/V, 7-Vol
  !ISYM   = 3          ! Symmetry: 0-none; 2=GGA; 3=hybrids
  NBLOCK = 1          ! Update XDATCAR every X steps
  KBLOCK = 40         ! Update PCDAT and DOSCAR every X*NBLOCK steps
  ISMEAR = 0          ! Gaussian smearing; metals:1
  SIGMA  = 0.02       ! Smearing value in eV; metals:0.2
  IWAVPR = 1          ! charge density extrapolation: 0-non 1-charg 2-wave 3-comb
  !POTIM  = 0.02       ! Timestep in fs

misc
  LORBIT  = 11        ! PAW radii for projected DOS
  NEDOS   = 2000      ! DOSCAR points
  LVHAR   = .TRUE.    ! Ionic and Hartree potential
  !RWIGS   = 1.5 1.5   ! Radii for each atomic species
  !LOPTICS = .TRUE.    ! Output OPTIC file
  !LVTOT   = .TRUE.    ! Electrostatic potential
  !LELF    = .TRUE.    ! Localisation function

hybrid-dft
  !LHFCALC  = .TRUE.   ! Activate HF
  !PRECFOCK = F        ! HF FFT grid
  !NKRED    = 2        ! Reduce k-grid-even only
  !ALGO     = DAMPED   ! Dampened MD SCF; IALGO=53
  !ALGO     = All      ! SCF Combo; ALGO=58
  !TIME     = 0.30     ! Timestep for IALGO5X
  !HFLMAX   = 4        ! HF cut-off: 4d,6f
  !HFSCREEN = 0.207    ! Switch to screened exchange; e.g. HSE06
  !AEXX     = 0.25     ! 25% HF exchange; e.g. PBE0

magnetic
  !ISPIN   = 2         ! Enable spin polarisation
  !MAGMOM  = 5 0       ! Initial magnetic momoment on each ion
  !NUPDOWN = -1        ! Enforce spin multiplet
  !LSORBIT = .TRUE.    ! Spin-orbit coupling

dft+u
  !LDAU    = .TRUE.    ! Activate DFT+U
  !LDAUTYPE = 2         ! Dudarev; only U-J matters
  !LDAUL   = 2 -1      ! Orbitals for each species
  !LDAUU   = 2  0      ! U for each species
  !LDAUJ   = 0  0      ! J for each species
  !LMAXMIX = 4         ! Mixing cut-off; 4-d, 6-f

decomposed charge density
  !LPARD = .TRUE.      ! Generate PARCHG
  !EINT  = -10 0       ! Energy range
  !NBMOD = -3          ! With reference to Ef
  !KPUSE = 1           ! Over k-points
  !IBAND = 20          ! Over bands