! DEBUG
! DUMPNEBXYZ 10
!           NconMax NTriesMax ImageDensity IterDensity ImageMax ImageIncr RMStol
NEWCONNECT    100     3         100.0          10.0        50       1.0     0.001
NEWNEB 200 2000 0.0001
NEBK 100.0
NEBK 1.0D2 
ADJUSTK 5 6.0 1.03D0 5.0D0 1.0D2
NEBREDISTRIBUTE -200

DIJKSTRA EXP

PERMDIST

EDIFFTOL  1.0D-4
GEOMDIFFTOL  0.5D0
MAXIMFACTOR 1.0D-2
! REVERSEGEDIFFTOL

BFGSMIN  1.0D-8
UPDATES 500 500 50 4
PUSHOPT 0.01 0.001 100
REOPTIMISEENDPOINTS
BFGSSTEPS 3000
MAXBFGS 0.2 0.2
STEPS 3000
RADIUS 999999.9

comment Perform a hybrid EF/LBFGS transition state search
BFGSTS 7000 3 10 0.00001
STEPMIN 100
NOHESS
MAXTSENERGY 10.0D0
MAXSTEP 0.1
MAXMAX  0.3
TRAD 0.2
! PATH 100 0.001

MAXERISE 1.0D-3 2.0D0
! DUMPALLPATHS
! DUMPDATA
! DUMPSTRUCTURES
! REAXFFDECOMP
NEWREAXFF start
