SYSTEM = SiGe [PAW_PBE54] (scf)
   #POTFiles: /home/tkamiya/bin/Perl/VASP/potpaw_PBE54/elements/Si/POTCAR
   #POTFiles: /home/tkamiya/bin/Perl/VASP/potpaw_PBE54/elements/Ge/POTCAR

Start parameters for this Run:
  #ISTART: 0:from scratch 1:restart with the same Ecut
  #   2:restart with the same basis set 3:full restart
    ISTART = 0
  #ICHARG: 0:Charge from wavef 1: CHGCAR 2:Atomic charge
  #       +10: Non-selfconsistent
    #ICHARG = 0
  #INIWAV: Only for ISTART=0
    #INIWAV = 1
  #NWRITE = 2 # Larger, more verbose. Must be 3 for phonon.
  #PREC: High|Accurate|Normal|Medium|Low
    PREC = High
  #NBANDS: Set NBANDS to double for collinear calculation
  #NBANDS = 
  #ADDGRID = .TRUE.

Electronic Relaxation
  #NELECT = 
  #Energy correction
  EDIFF = 1.0e-4
  # Critera for relaxation. In energy for positive value, force for negative value
  EDIFFG = 1.0e-3
  #LREAL: .TRUE.|.FALSE.|A|O
  LREAL = Auto
  #ENCUT = 200.00 eV
  #Algorithm 8:CG, 38: Davidson, 48:RMM=DIIS, 8,48: for NPAR=1, 48: for NPAR > 1
  #Algorithm Normal  Damped  All  Diag
  #  For hybrid: All, Diag, or Damped. ISMEAR=-5 is not recommended for All
  #IALGO = 48
  ALGO      = Normal
  #LDIAG     = .TRUE.
  LHFCALC   = .TRUE.
  AEXX      = 0.25
  AGGAC     = 1.0
  ALDAC     = 1.0
  HFSCREEN  = 0.2
  #ENCUTFOCK = 0
  PRECFOCK  = N #PrecFock=L|M|F|N|A
  #LMAXFOCK  = 4
  TIME      = 0.4
  #NKRED     = 2
  #NKREDX    =
  #NKREDY    =
  #NKREDZ    =
  #IMIX      = 1
  #AMIX      = a
  #BMIX      = 2.0
  #NSIM = 4
  #NELM: Number of electronic steps
    #NELM   = 60
    NELMIN = 0 # 5 at least for hybrid band calc
    #NELMDL = 3 # of ELM steps

  #IDIPOL = 4
  #DIPOL  = 0.00000 0.00000 0.00000
  #LDIPOL = .TRUE.
  #Spin-orbit
    #LSORBIT = .TRUE.
    #SAXIS = 0 0 1
  #Non-collinear setup
    #LNONCOLLINEAR = .TRUE.
    #MAGMOM = 0 0 1   0 0 1   0 0 1   0 0 1   
    #NBANDS: Set NBANDS to double of collinear calculation
    #GGA_COMPAT = .FALSE.
  #ISPIN: 1:Non-polarized 2:Spin-polarized
  ISPIN = 1
  #mmmmmm = SiSiGeGe
  #MAGMOM =  0 0 0 0
  #NUPDOWN = 0
  #LDA+U setup
  #LDAU = .TRUE.
  #LDAUTYPE: 1: Rotational invaliant LSDA+U 4:the same as 1, but LDA+U
  #          2: Dudarev's LSDA+U
  #LDAUTYPE = 2
  #LDAUL = 2 -1 
  #LDAUU = 4.0 0.0 
  #LDAUJ = 0.0 0.0 
  #LDAUPRINT: 0:silent  1:medium  2:detail
  #LDAUPRINT = 2
  #PAW Control:
  #  These are very important also for L(S)DA+U calculations
  #LMAXMIX: Default: 2
  #      Use 4 and 6 for d and f orbitals in L(S)DA+U calculations
  #LMAXMIX = 4
  #LMAXPAW: Default: 2*lmax
  #         -1: No on-site correction  0: Only spherical terms
  #LMAXPAW = 0
  # van der Waals correction by DFT-D method of Grimme
  #LVDW = .TRUE.
  # Other vdW-DF
  #LUSE_VDW = .TRUE.
  #   vdWDFT (Dion): AGGAC=0, GGA=RE, no Zab_vdW
  #   vdW2   : AGGAC=0, GGA=ML, no Zab_vdW=-1.8867)
  #   optPBE : AGGAC=0, GGA=OR, no Zab_vdW)
  #   optB88 : AGGAC=0, GGA=BO, PARAM1=0.1833333333, PARAM2=0.22, no Zab_vdW)
  #   optB86b: AGGAC=0, GGA=MK, PARAM1=0.1234, PARAM2=1.0, no Zab_vdW)
  #GGA = RE
  #PARAM1 = 0.1234
  #PARAM2 = 1.0000
  #Zab_vdW = -1.8867

Ionic Relaxation
  #ISIF: 0:Ion relax only 2:Cell fixed/Calc.Pressure 3:VC-Relax/VC-MD
  #      4: Variable shape fixed V (not implemented)  7: fixed shape variable volume (not implemented)
  #ISIF = 3
  #NSW: Number of ion steps
  #NSW = 300
  # Invoke Langevin dynamics (MDALGO=3)
  #MDALGO=3
  # Friction coefficients for atomic degrees of freedom, one for each species defiend in POSCAR
  #    (in ps^-1, typically 0(no thermostating) - 100 ps^-1)
  #    See e.g. book of Allen and Tildesley: Computer simulations of liquids
  #LANGEVIN_GAMMA=100 100 
  # Friction coefficients for lattice degrees of freedom
  #LANGEVIN_GAMMA_L=100
  # Fictitious mass for lattice degrees of freedom (in amu) used
  #   in Parrinello-Rahman dynamics (Default 1000, typically 1-10?)
  #PMASS=10
  #IBRION: -1:Ion position fiexed 0:MD
            1: Quasi-Newton 2:Conjugate Gradient
            3: Damped MD, use dumping factor(SMASS/POTIM)
            5,6: Hessian matrix calculated by finite-difference. 6 considers symmetry
            7,8: Hessian matrix calculated analytically. 8 considers symmetry
  #IBRION = 2
  # Nose mass definition: -3: a micro canonical ensemble (constant energy molecular dynamics)
  #     -2: the initial velocities are kept constant  -1: the velocities are scaled each NBLOCK  step
  #    >=0: a canonical ensemble by Nose algorism
  #SMASS = -3
  #NBLOCK = 50
  #POTIM = 2.0 fs time-step for ion-motion
  #TEBEG = 300.0
  #TEEND = 300.0
  PSTRESS = 0.0 kBar
  #POMASS and ZVAL are read from POTCAR for default
  #POMASS = 102.91
  #ZVAL = 11.0
  #ISYM: 0:Break symmetry 1,2:Keep symmetry
         2:More effecient memory use
    ISYM = 1
  #SYMPREC: deault 1e-5
  #SYMPREC = 1e-5

Functional
  #Only for LDA-based pseudopotentials
  #GGA = PE

  #LEPSILON=.TRUE.
  #LRPA=.FALSE.
  #LOPTICS=.TRUE.
  #CSHIFT=0.1

File write controls:
  LWAVE   = .TRUE.
  LCHARGE = .TRUE.
  # LVHAR, LVTOT: Write Hartree (LVHAR=.T.) or Total (LVTOT=.T.)local potential to LOCPOT in vasp.5.x
  #LVHAR   = .TRUE.
  LVTOT   = .TRUE.
  #LORBIT  = 2
  LELF    = .FALSE.
  # LAECHG: Write core charge to AECCAR0, valance charge to AECCAR2 e.g. for Bader analysis
  LAECHG  = .TRUE.

Parallelization configuration:
  #Parallelizaion over bands and plane wave coeff.(the latter is default)
  # For dense cluster: NPAR ~ sqrt(Number of cores) or Number of cores per computer node
  #NPAR = 
  #NCORE = 1 # NCORE = Total number of cores / NPAR
  LPLANE = .TRUE.
  #KPAR = 

DOS related values:
  #Elements: Si Ge
  VCA = 0.5000 0.5000 
  #Elements: Si Ge
  RWIGS =    1.312 1.217
  #ISMEAR: -1: Fermi-smearing  0: Gaussian smearing  N: Methfessel-Paxton order N
  #        -4 tetrahedron method without Blochl corrections
  #        -5 tetrahedron method with Blochl corrections
  #    use -5 for semiconductors/insulators, 1/2 for metals
  #    use -1/0/1/2 for Band
  ISMEAR = -5
  SIGMA = 0.1
  #DOS range and # of mesh
  #EMIN  = -35
  #EMAX  = 15
  #NEDOS = 5000

Band decomposed charge density:
  #LPARD = .TRUE.
  #Mode: 0: Total charge density incl. unoccupied bands.
  #     -1: Usual total charge density (default).
  #     -2: Partial charge density within energies specified by EINT.
  #     -3: The same as -2, but the energy is measured from the Fermi energy.
  #NBMOD = 0
  #Energy range to be incorporated
  #EINT = -5.0 0.0
  #Indexes of bands to be used (see EIGENVAL or OUTCAR)
  #IBNAD = 20 21 22 23
  #Indexes of K points to be used (see IBZKPT)
  #KPUSE = 1 2 3 4
  #Write band decomposed density to PARCHG.nb.* separately if .TRUE.
  #LSEPB = .TRUE.
  #Write K-point decomposed density to PARCHG.*.nk separately if .TRUE.
  #LSEPK = .TRUE.