# +-----------------------------+ #
# |      INCAR Sample           | #
# | Startparameter for this run | #
# +-----------------------------+ #

SYSTEM = HCN_NEB_Freq
ISPIN  = 2
ICHARG = 1
#MAGMOMS = 12*2.0 74*0
GGA    = BF
LUSE_VDW = .TRUE. #van der waals
Zab_VDW = -1.8867 #van der waals param
LBEEFENS = .TRUE. #allows error estimation

ENCUT = 700
EDIFF = 1E-6
EDIFFG = -0.01
LREAL = Auto
NELM = 150

NSW = 1
IBRION = 5
POTIM = 0.02
NFREE = 2

ISMEAR = 1
SIGMA = 0.2

LORBIT = 11
LASPH = .TRUE.
LDIPOL = .TRUE.   #Dipole corrctions
IDIPOL = 3        #in z direction
DIPOL = 0.5 0.5 0.5