SYSTEM = Al F3
 
  GGA    = PE
  ISTART = 1
  ICHARG = 0
  INIWAV = 1
  ISYM   = 2
  ISPIN  = 1
  
Ionic minimisation
  NSW    = 0
  ISIF   = 2
  IBRION = 2
#  EDIFFG = -2E-2 
  POTIM  = 0.1
    
Electronic minimisation 
  IALGO = 38
  
LWAVE  = .TRUE.

 EMIN =   -20.0  
 EMAX =   10.0
 NEDOS = 1601

EFG Calculation
LEFG = .TRUE.
QUAD_EFG = 146.6 0.0

Chemical Shift
PREC = Normal      # nice
ENCUT = 400.0      # typically higher cutoffs than usual are needed
ISMEAR = 0; SIGMA= 0.1 # no fancy smearings, SIGMA sufficiently small
EDIFF = 1E-9       # you'd need much smaller EDIFFs.

LCHIMAG = .TRUE.   # to switch on linear response for chemical shifts
DQ = 0.001         # often the default is sufficient
ICHIBARE = 1       # often the default is sufficient
LNMR_SYM_RED = .TRUE. # be on the safe side
NSLPLINE = .TRUE.  # only needed if LREAL is NOT set.
LREAL = A          # helps for speed for large systems, not needed
NBANDS = 25        # to safe memory, ??? = NELECT/2

