#NEB or task farming
#IMAGES = 12
#SPRING = -1000

#Start
#ISTART = 1

#Core-level calculations
#NELECT = 16
#ICORELEVEL = 1
#CLNT = 2
#CLN = 2
#CLL = 1
#CLZ = 1

#Electronic
ISMEAR=0
SIGMA=0.1
PREC = Accurate
ENCUT = 400
EDIFF  =  0.00001
LREAL = Auto
LASPH = .TRUE.
IVDW = 12
NELM = 150
#ISPIN = 2
#EFIELD = 0.027
#LDIPOL = .TRUE.
#IDIPOL = 1

###Geometry optimisation
#NSW = 200
#EDIFFG = -0.01
#IBRION = 2
#ISIF = 0

#Output
LORBIT = 10
LWAVE = .FALSE.
LCHARG = .FALSE.
LVHAR = .TRUE.

#Parallelisation
#LPLANE = .FALSE.
#NPAR  =  2
NCORE  =  20
#NSIM   = 1
#KPAR   = 4 
