iterations/neb0_image01_iter21_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 0.161677208185E+04 0.16168E+04 -0.42275E+04 306 0.697E+02
DAV: 2 0.296232760540E+03 -0.13205E+04 -0.12434E+04 420 0.168E+02
DAV: 3 -0.358067346318E+03 -0.65430E+03 -0.65074E+03 364 0.123E+02
DAV: 4 -0.433525929312E+03 -0.75459E+02 -0.75156E+02 308 0.519E+01
DAV: 5 -0.435237328348E+03 -0.17114E+01 -0.17085E+01 332 0.797E+00 0.427E+01
DAV: 6 -0.389150677613E+03 0.46087E+02 -0.15048E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385620638689E+03 0.35300E+01 -0.12381E+01 340 0.767E+00 0.104E+01
DAV: 8 -0.384165635494E+03 0.14550E+01 -0.24283E+00 332 0.380E+00 0.432E+00
DAV: 9 -0.383606427096E+03 0.55921E+00 -0.10745E+00 324 0.206E+00 0.103E+00
DAV: 10 -0.383545529718E+03 0.60897E-01 -0.11301E-01 348 0.909E-01 0.774E-01
DAV: 11 -0.383505523500E+03 0.40006E-01 -0.73872E-02 324 0.694E-01 0.491E-01
DAV: 12 -0.383494732667E+03 0.10791E-01 -0.23327E-02 348 0.431E-01 0.502E-01
DAV: 13 -0.383491931843E+03 0.28008E-02 -0.55248E-02 340 0.326E-01 0.364E-01
DAV: 14 -0.383488152468E+03 0.37794E-02 -0.20119E-02 300 0.319E-01 0.269E-01
DAV: 15 -0.383493764314E+03 -0.56118E-02 -0.89072E-03 316 0.222E-01 0.161E-01
DAV: 16 -0.383498235260E+03 -0.44709E-02 -0.81763E-03 308 0.161E-01 0.164E-01
DAV: 17 -0.383513264866E+03 -0.15030E-01 -0.78695E-03 276 0.169E-01 0.888E-02
DAV: 18 -0.383522683174E+03 -0.94183E-02 -0.20975E-03 308 0.104E-01 0.618E-02
DAV: 19 -0.383530178921E+03 -0.74957E-02 -0.67593E-04 324 0.553E-02 0.511E-02
DAV: 20 -0.383537010746E+03 -0.68318E-02 -0.34916E-04 324 0.430E-02 0.422E-02
DAV: 21 -0.383541016310E+03 -0.40056E-02 -0.17874E-04 308 0.309E-02 0.178E-02
DAV: 22 -0.383544772756E+03 -0.37564E-02 -0.29675E-04 300 0.318E-02 0.136E-02
DAV: 23 -0.383545402964E+03 -0.63021E-03 -0.31530E-05 236 0.111E-02 0.817E-03
DAV: 24 -0.383546340533E+03 -0.93757E-03 -0.59013E-05 268 0.163E-02 0.850E-03
DAV: 25 -0.383546572327E+03 -0.23179E-03 -0.68184E-06 228 0.675E-03 0.408E-03
DAV: 26 -0.383546778787E+03 -0.20646E-03 -0.81113E-06 212 0.615E-03 0.191E-03
DAV: 27 -0.383546910094E+03 -0.13131E-03 -0.43923E-06 220 0.374E-03 0.166E-03
DAV: 28 -0.383546978651E+03 -0.68556E-04 -0.23326E-06 212 0.357E-03 0.216E-03
DAV: 29 -0.383547013545E+03 -0.34894E-04 -0.19016E-06 220 0.275E-03 0.139E-03
DAV: 30 -0.383547022746E+03 -0.92018E-05 -0.52775E-07 228 0.198E-03
1 F= -.38354702E+03 E0= -.38356020E+03 d E =0.395340E-01