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

SYSTEM = H2
ISPIN  = 1
ICHARG = 1
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-5
EDIFFG = -0.015
LREAL = Auto

NSW = 1
IBRION = 5
POTIM = 0.02
NELM = 150 
ISIF = 4

ISMEAR = 1
SIGMA = 0.2

LASPH = .TRUE.
LDAU = .FALSE.
NFREE = 2

LDIPOL = .TRUE.
IDIPOL = 3
DIPOL 0.5 0.5 0.5