iterations/neb0_image04_iter2_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 0.161874992437E+04 0.16187E+04 -0.42279E+04 306 0.697E+02
DAV: 2 0.297938524693E+03 -0.13208E+04 -0.12418E+04 420 0.168E+02
DAV: 3 -0.354076565452E+03 -0.65202E+03 -0.64845E+03 356 0.123E+02
DAV: 4 -0.433228259016E+03 -0.79152E+02 -0.78811E+02 316 0.540E+01
DAV: 5 -0.435074062418E+03 -0.18458E+01 -0.18435E+01 340 0.830E+00 0.427E+01
DAV: 6 -0.389065603198E+03 0.46008E+02 -0.15046E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385567919591E+03 0.34977E+01 -0.12358E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384134333384E+03 0.14336E+01 -0.22702E+00 332 0.379E+00 0.426E+00
DAV: 9 -0.383561052818E+03 0.57328E+00 -0.73422E-01 324 0.203E+00 0.104E+00
DAV: 10 -0.383504314004E+03 0.56739E-01 -0.12582E-01 340 0.877E-01 0.747E-01
DAV: 11 -0.383484384153E+03 0.19930E-01 -0.52686E-02 324 0.439E-01 0.555E-01
DAV: 12 -0.383467461100E+03 0.16923E-01 -0.57011E-02 316 0.397E-01 0.427E-01
DAV: 13 -0.383456719660E+03 0.10741E-01 -0.31506E-02 308 0.366E-01 0.218E-01
DAV: 14 -0.383460182739E+03 -0.34631E-02 -0.10622E-02 316 0.315E-01 0.166E-01
DAV: 15 -0.383470874864E+03 -0.10692E-01 -0.51570E-03 316 0.219E-01 0.239E-01
DAV: 16 -0.383480204228E+03 -0.93294E-02 -0.38827E-03 316 0.160E-01 0.175E-01
DAV: 17 -0.383490631805E+03 -0.10428E-01 -0.31482E-03 292 0.124E-01 0.571E-02
DAV: 18 -0.383499048559E+03 -0.84168E-02 -0.10243E-03 308 0.742E-02 0.429E-02
DAV: 19 -0.383506087409E+03 -0.70389E-02 -0.59555E-04 348 0.602E-02 0.352E-02
DAV: 20 -0.383512218393E+03 -0.61310E-02 -0.34197E-04 316 0.380E-02 0.173E-02
DAV: 21 -0.383515193337E+03 -0.29749E-02 -0.16397E-04 308 0.263E-02 0.110E-02
DAV: 22 -0.383517137727E+03 -0.19444E-02 -0.94850E-05 292 0.179E-02 0.811E-03
DAV: 23 -0.383518069097E+03 -0.93137E-03 -0.43238E-05 276 0.133E-02 0.652E-03
DAV: 24 -0.383518455841E+03 -0.38674E-03 -0.13212E-05 220 0.727E-03 0.394E-03
DAV: 25 -0.383518607467E+03 -0.15163E-03 -0.68666E-06 236 0.555E-03 0.170E-03
DAV: 26 -0.383518714033E+03 -0.10657E-03 -0.52671E-06 204 0.539E-03 0.273E-03
DAV: 27 -0.383518756278E+03 -0.42245E-04 -0.22487E-06 220 0.311E-03 0.258E-03
DAV: 28 -0.383518773859E+03 -0.17581E-04 -0.12572E-06 220 0.299E-03 0.760E-04
DAV: 29 -0.383518786810E+03 -0.12951E-04 -0.86725E-07 220 0.232E-03 0.939E-04
DAV: 30 -0.383518792805E+03 -0.59948E-05 -0.30206E-07 212 0.111E-03
1 F= -.38351879E+03 E0= -.38353163E+03 d E =0.384995E-01