Startparameter for this run
NWRITE =      2
ISTART =      0
GGA= PE
ISMEAR= 0
LWAVE = .FALSE.
LCHARG = .FALSE.

Electronic Relaxation
ENCUT  = 500
LREAL=Auto
NELM=500

LDAU  = .TRUE.
LASPH = .TRUE.

LDAUL = 3 -1 -1 -1 -1 -1
LDAUU = 5.5 0.0 0.0 0.0 0.0 0.0 
LDAUJ = 1.0 0.0 0.0 0.0 0.0 0.0

Electronic relaxation 2 (details)
SIGMA = 0.10

LDIPOL = .TRUE.
IDIPOL = 3

IVDW = 11

improved dimer method:
IBRION =  44     # IDM
EDIFF  =   1E-6  #
EDIFFG =  -0.025 # use force criteria
POTIM  =   0.100 #
NFREE  =   2     #
FINDIFF=   2     #
DIMER_DIST=0.010 #
MINROT =   0.010 #
STEP_SIZE= 0.010 #
STEP_MAX=  0.100 #
NSW    = 1000     #

