iterations/neb0_image08_iter15_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 0.151065639131E+04 0.15107E+04 -0.43570E+04 322 0.697E+02
DAV: 2 0.253455245549E+03 -0.12572E+04 -0.11795E+04 420 0.164E+02
DAV: 3 -0.357619624632E+03 -0.61107E+03 -0.60664E+03 356 0.117E+02
DAV: 4 -0.433034982167E+03 -0.75415E+02 -0.75071E+02 316 0.517E+01
DAV: 5 -0.434758676984E+03 -0.17237E+01 -0.17207E+01 332 0.797E+00 0.428E+01
DAV: 6 -0.388593193129E+03 0.46165E+02 -0.14974E+02 324 0.286E+01 0.209E+01
DAV: 7 -0.385049778873E+03 0.35434E+01 -0.12642E+01 340 0.777E+00 0.104E+01
DAV: 8 -0.383619646473E+03 0.14301E+01 -0.23087E+00 332 0.387E+00 0.425E+00
DAV: 9 -0.383069382935E+03 0.55026E+00 -0.64573E-01 324 0.194E+00 0.110E+00
DAV: 10 -0.383031876436E+03 0.37506E-01 -0.47693E-01 348 0.104E+00 0.780E-01
DAV: 11 -0.383007659045E+03 0.24217E-01 -0.30415E-02 324 0.474E-01 0.594E-01
DAV: 12 -0.382985130545E+03 0.22528E-01 -0.77569E-02 324 0.601E-01 0.607E-01
DAV: 13 -0.382980950136E+03 0.41804E-02 -0.67687E-02 356 0.352E-01 0.401E-01
DAV: 14 -0.382977370128E+03 0.35800E-02 -0.25530E-02 300 0.291E-01 0.353E-01
DAV: 15 -0.382981057139E+03 -0.36870E-02 -0.15920E-02 300 0.276E-01 0.239E-01
DAV: 16 -0.382991167226E+03 -0.10110E-01 -0.95522E-03 316 0.267E-01 0.214E-01
DAV: 17 -0.382994685349E+03 -0.35181E-02 -0.32939E-03 324 0.134E-01 0.140E-01
DAV: 18 -0.383002024593E+03 -0.73392E-02 -0.91087E-04 284 0.939E-02 0.184E-01
DAV: 19 -0.383015400833E+03 -0.13376E-01 -0.27426E-03 284 0.130E-01 0.124E-01
DAV: 20 -0.383019304963E+03 -0.39041E-02 -0.84247E-04 324 0.974E-02 0.574E-02
DAV: 21 -0.383023055256E+03 -0.37503E-02 -0.90522E-04 324 0.789E-02 0.533E-02
DAV: 22 -0.383026903291E+03 -0.38480E-02 -0.21771E-04 308 0.430E-02 0.225E-02
DAV: 23 -0.383030238313E+03 -0.33350E-02 -0.17253E-04 308 0.276E-02 0.180E-02
DAV: 24 -0.383031683719E+03 -0.14454E-02 -0.65752E-05 292 0.166E-02 0.134E-02
DAV: 25 -0.383032734958E+03 -0.10512E-02 -0.45601E-05 284 0.135E-02 0.884E-03
DAV: 26 -0.383033323787E+03 -0.58883E-03 -0.40254E-05 284 0.161E-02 0.853E-03
DAV: 27 -0.383033480262E+03 -0.15648E-03 -0.73872E-06 228 0.730E-03 0.841E-03
DAV: 28 -0.383033604832E+03 -0.12457E-03 -0.41134E-06 204 0.467E-03 0.392E-03
DAV: 29 -0.383033671438E+03 -0.66606E-04 -0.51911E-06 228 0.648E-03 0.352E-03
DAV: 30 -0.383033708696E+03 -0.37258E-04 -0.21127E-06 212 0.367E-03 0.241E-03
DAV: 31 -0.383033726648E+03 -0.17953E-04 -0.78609E-07 220 0.221E-03 0.148E-03
DAV: 32 -0.383033737185E+03 -0.10537E-04 -0.10778E-06 228 0.299E-03 0.895E-04
DAV: 33 -0.383033744237E+03 -0.70519E-05 -0.30358E-07 212 0.142E-03
1 F= -.38303374E+03 E0= -.38304677E+03 d E =0.390725E-01