SYSTEM = Zn-FAU

ISTART = 1
PREC = Accurate
ENCUT = 400
ISPIN = 1
ISYM = 0

EDIFF  =  1.0E-8    # [Global break cond. for the elec. SC-loop]
EDIFFG =  -0.005     # [Global break cond. for the elec. Ionic-loop]
ISIF=1              # 1 - atom position optimization, 3 - cell and atom optimization

NSW = 1         # Number of ionic steps
NELM = 100          # Number of electronic iterations
NELMIN = 3          # Minimal number of electronic iterations
IBRION =      5  # frequency calculation
NFREE  =      2  # use central diffencies for frequencies
POTIM  =    0.01 # 0.01 step width
LCHARG=.FALSE.
LWAVE=.FALSE.

LREAL = Auto     # .False. is more accurate than Auto but slower- CHECK IT!
ALGO = Fast         # Recommended for METAGGA
GGA = PE

ISMEAR = 0          # [-1=Fermi smearing -5 Tetrahedron+Bloechl]
SIGMA = 0.2

#D4 Settings
#LVDW_EWALD = .TRUE. 
IVDW = 13
VDW_S6 = 1.00000000
VDW_S8 = 0.95948085
VDW_A1 = 0.38574991
VDW_A2 = 4.80688534
SYMPREC = 1.0E-6



NPAR = 8           # nodes 32-->8  48-->12
EOF


