#NBANDS=XX                                            # for hand modification
#IALGO=48                                             # for hand modification
#incar
LPLANE=.TRUE.             # parallelization 
NPAR=4                    # seems to give good results with all MPI
NSIM=4                    # tune size vector/matrix product
LSCALU=.FALSE.            # neglect scalapack 
NBANDS=44                 # KBIN_XVASP_INCAR_GetNBANDS
ISYM=2                    # SYMMMETRY=ON
LDAU=.TRUE.               # AFLOW LSDA+U
#LDAU_SPECIES=Zn          # LDAU species 
LDAUL=2                   # l-quantum number for which the on site interaction is added (Default 2) automatic LDAUL table
LDAUU=7.5                 # UEFF parameter. Automatic LDAUU table
LDAUJ=0                   # J parameter (if used). Automatic LDAUJ table
LDAUTYPE=2                # Type of LDA+U. 
LMAXMIX=4                 # Controls up to which l-quantum number the onsite PAW charge densities are passed through the charge density mixer. 
LDAUPRINT=0               # Controls verbosity of the L(S)DA+U module. (Default 0) # AFLOW LSDA+U
ENMAX=387.4178            # 1.4*ENMAX (276.727) of pseudopotentials 
LREAL=.FALSE.             # reciprocal space projection technique 
EDIFF=1E-6                # high accuracy required          
ISPIN=1                   # SPIN=OFF
ISMEAR=-5                 # Performing RELAX_STATIC (tetrahedron method with Blochl corrections : wahyu/stefano 2009/10/09)
SIGMA=0.05                # Performing RELAX_STATIC (so the DOS will not spill too much from band edges)
ALGO=Normal               # Performing RELAX_STATIC (stefano from ICSD)
ISIF=2                    # Performing RELAX_STATIC (relax ions, but single step so no relax)
IBRION=2                  # Performing RELAX_STATIC (relax conj. grad, but single step so no relax)
NSW=0                     # Performing RELAX_STATIC (zero ionic steps, so no relax, just static)
NELM=120                  # Performing RELAX_STATIC
NELMIN=2                  # Performing RELAX_STATIC
LORBIT=10                 # Performing RELAX_STATIC
LCHARG=.TRUE.             # Performing RELAX_STATIC
LWAVE=.FALSE.             # Performing RELAX_STATIC
LELF=.TRUE.               # Performing RELAX_STATIC
PREC=High                 # Performing RELAX_STATIC (aleksey)
EMIN= -30.0               # Performing RELAX_STATIC (aleksey) force search for EMIN
EMAX=  45.0               # Performing RELAX_STATIC (aleksey)
NEDOS= 5000               # Performing RELAX_STATIC (aleksey)
