DEBUG MBPOL BFGSMIN 1.0D-6 ENDNUMHESS MAXBFGS 0.1 UPDATES 6000 10 10 100 BFGSSTEPS 30000 REOPTIMISEENDPOINTS NEWCONNECT 5 1 10.0 20.0 15 5.0 0.00001 NEWNEB 11 200 0.000001 STEPMIN 50 MAXIMFACTOR 1.0 comment initial final factor NBEKALPHA NEBK 1.0D2 5.5D0 0.99 0.0D0 NEBREDISTRIBUTE -350 USEDIAG 2 DIJKSTRA exp MAXBFGS 0.1 0.05 EDIFFTOL 0.000001 DUMPALLPATHS GEOMDIFFTOL 0.5 PATH 50 comment PMPATH 6 MAXSTEP 0.05 MAXMAX 0.2 TRAD 0.2 BFGSTS 50 3 25 0.0001 UPDATES 4 10 NOHESS comment BBRSDM 1.0D-4 1.0D-10 0.1D0 0.5D0 1 1.0D2 1.0D-8 2000 MAXERISE 1.0D-10 BFGSMIN 1.0D-6 CONVERGE 0.001 1.0D-6 PUSHOPT 0.2 0.0001 100 STEPS 200 BFGSSTEPS 5000 POINTS O 0.324296564121963 -2.579066054153623 1.391411849103716 O -0.143551352604799 -3.370903577697655 1.127011519217123 O 0.130451195531610 -1.907434623796783 0.716996836160855 O 0.148683901160422 -0.176242691187756 0.013821553306601 O 1.109653130517837 0.015477120958799 -0.097084334695962 O -0.295147516276717 0.185979531823092 -0.751614896885262 O 0.276854284818363 -0.078828981554355 2.895655537321862 O 0.169566400298421 -1.036310067790728 2.866180135566663 O 0.027882097822571 0.181314835199904 1.999075055777401 O 3.223217798953256 -2.210013026023783 1.449439944642813 O 2.311575965348746 -2.521886037324798 1.510041233337315 O 3.313625163290606 -1.588521989239441 2.181544450939945 O 2.789931504673468 0.153603934526512 0.010201905466212 O 3.064816573183833 -0.747249448189910 0.256048731156925 O 2.998325551936592 0.641944049751313 0.815504886582752 O 2.989947270929831 0.326542380134027 2.904915631734805 O 3.330875758614257 0.786020450488514 3.671329351412202 O 2.024477485778016 0.261891860745817 3.033152946991326