SYSTEM = Copied_from_TPSSh
#ISTART = 0
ISPIN  = 2


# ==> beefy <== # 
GGA = BF
LUSE_VDW = .TRUE. #van der waals
Zab_VDW = -1.8867 #van der waals param
LBEEFENS = .TRUE. #allows error estimation

# ==> Electronic Relaxation <== #
ENCUT  = 500
EDIFF  = 1E-6
EDIFFG = -0.02
LREAL  = Auto
NELM   = 200

LMAXMIX= 4 #parameters recommended by VASP (unsure of these)
INIMIX = 0
AMIX   = 0.4 # Recommended using PAW from vaspwiki
BMIX   = 0.0001
AMIX_MAG= 0.8
BMIX_MAG= 0.0001

# ==> Ionic Relaxation <== #
NSW    = 200
IBRION = 2
POTIM  = 0.1

# ==> DOS related values <== #
ISMEAR = 0 
SIGMA  = 0.05

NPAR   = 5


NELECT = 176
LCHARG = .FALSE.