iterations/neb0_image08_iter19_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.150821154961E+04 0.15082E+04 -0.43551E+04 322 0.697E+02
DAV: 2 0.252275832992E+03 -0.12559E+04 -0.11787E+04 420 0.164E+02
DAV: 3 -0.357625399483E+03 -0.60990E+03 -0.60523E+03 356 0.117E+02
DAV: 4 -0.432782026160E+03 -0.75157E+02 -0.74813E+02 316 0.516E+01
DAV: 5 -0.434509580071E+03 -0.17276E+01 -0.17245E+01 332 0.797E+00 0.426E+01
DAV: 6 -0.388613963756E+03 0.45896E+02 -0.14941E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385102476498E+03 0.35115E+01 -0.12309E+01 332 0.772E+00 0.104E+01
DAV: 8 -0.383689917512E+03 0.14126E+01 -0.24363E+00 332 0.388E+00 0.427E+00
DAV: 9 -0.383131410703E+03 0.55851E+00 -0.59937E-01 324 0.193E+00 0.964E-01
DAV: 10 -0.383080547125E+03 0.50864E-01 -0.13240E-01 348 0.923E-01 0.775E-01
DAV: 11 -0.383066801137E+03 0.13746E-01 -0.38463E-02 316 0.415E-01 0.680E-01
DAV: 12 -0.383054353385E+03 0.12448E-01 -0.97550E-02 308 0.393E-01 0.537E-01
DAV: 13 -0.383045536413E+03 0.88170E-02 -0.10188E-01 324 0.433E-01 0.655E-01
DAV: 14 -0.383039925586E+03 0.56108E-02 -0.42941E-02 324 0.254E-01 0.236E-01
DAV: 15 -0.383042899395E+03 -0.29738E-02 -0.64373E-03 292 0.249E-01 0.162E-01
DAV: 16 -0.383052526896E+03 -0.96275E-02 -0.50626E-03 316 0.196E-01 0.131E-01
DAV: 17 -0.383064658330E+03 -0.12131E-01 -0.26559E-03 300 0.172E-01 0.110E-01
DAV: 18 -0.383076184083E+03 -0.11526E-01 -0.32112E-03 316 0.154E-01 0.741E-02
DAV: 19 -0.383081367109E+03 -0.51830E-02 -0.62325E-04 332 0.677E-02 0.574E-02
DAV: 20 -0.383085625089E+03 -0.42580E-02 -0.30731E-04 300 0.373E-02 0.326E-02
DAV: 21 -0.383091723955E+03 -0.60989E-02 -0.33452E-04 308 0.361E-02 0.191E-02
DAV: 22 -0.383094705113E+03 -0.29812E-02 -0.11955E-04 300 0.237E-02 0.158E-02
DAV: 23 -0.383097276123E+03 -0.25710E-02 -0.16794E-04 292 0.246E-02 0.932E-03
DAV: 24 -0.383097769763E+03 -0.49364E-03 -0.24139E-05 268 0.126E-02 0.720E-03
DAV: 25 -0.383098279241E+03 -0.50948E-03 -0.25211E-05 236 0.117E-02 0.540E-03
DAV: 26 -0.383098512996E+03 -0.23376E-03 -0.82853E-06 236 0.637E-03 0.384E-03
DAV: 27 -0.383098631837E+03 -0.11884E-03 -0.64812E-06 220 0.598E-03 0.227E-03
DAV: 28 -0.383098698853E+03 -0.67016E-04 -0.21133E-06 212 0.320E-03 0.208E-03
DAV: 29 -0.383098731056E+03 -0.32203E-04 -0.11730E-06 220 0.247E-03 0.118E-03
DAV: 30 -0.383098769809E+03 -0.38753E-04 -0.15693E-06 220 0.232E-03 0.737E-04
DAV: 31 -0.383098778866E+03 -0.90574E-05 -0.45660E-07 228 0.141E-03
1 F= -.38309878E+03 E0= -.38311204E+03 d E =0.397906E-01