./iterations/neb0_image08_iter27_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.163053305257E+04 0.16305E+04 -0.42270E+04 306 0.696E+02
DAV: 2 0.305805283198E+03 -0.13247E+04 -0.12457E+04 420 0.167E+02
DAV: 3 -0.353941811186E+03 -0.65975E+03 -0.65489E+03 356 0.123E+02
DAV: 4 -0.432701838466E+03 -0.78760E+02 -0.78457E+02 308 0.546E+01
DAV: 5 -0.434497040734E+03 -0.17952E+01 -0.17919E+01 332 0.844E+00 0.425E+01
DAV: 6 -0.388737794828E+03 0.45759E+02 -0.14759E+02 308 0.285E+01 0.208E+01
DAV: 7 -0.385233954399E+03 0.35038E+01 -0.12455E+01 340 0.785E+00 0.103E+01
DAV: 8 -0.383808743408E+03 0.14252E+01 -0.19427E+00 340 0.381E+00 0.422E+00
DAV: 9 -0.383264799481E+03 0.54394E+00 -0.10666E+00 332 0.222E+00 0.120E+00
DAV: 10 -0.383195710885E+03 0.69089E-01 -0.17443E-01 340 0.998E-01 0.834E-01
DAV: 11 -0.383176834733E+03 0.18876E-01 -0.14538E-01 324 0.556E-01 0.621E-01
DAV: 12 -0.383150168493E+03 0.26666E-01 -0.15519E-02 324 0.413E-01 0.404E-01
DAV: 13 -0.383138128322E+03 0.12040E-01 -0.13318E-01 324 0.701E-01 0.829E-01
DAV: 14 -0.383130305219E+03 0.78231E-02 -0.48040E-02 324 0.315E-01 0.311E-01
DAV: 15 -0.383135572868E+03 -0.52676E-02 -0.17065E-02 308 0.268E-01 0.300E-01
DAV: 16 -0.383141194502E+03 -0.56216E-02 -0.25438E-02 348 0.255E-01 0.265E-01
DAV: 17 -0.383148653137E+03 -0.74586E-02 -0.40307E-03 308 0.177E-01 0.192E-01
DAV: 18 -0.383160362076E+03 -0.11709E-01 -0.43353E-03 324 0.239E-01 0.705E-02
DAV: 19 -0.383168739644E+03 -0.83776E-02 -0.34121E-03 332 0.182E-01 0.751E-02
DAV: 20 -0.383172132554E+03 -0.33929E-02 -0.10100E-03 316 0.869E-02 0.626E-02
DAV: 21 -0.383175211238E+03 -0.30787E-02 -0.26898E-04 332 0.616E-02 0.530E-02
DAV: 22 -0.383175941414E+03 -0.73018E-03 -0.18291E-04 324 0.363E-02 0.531E-02
DAV: 23 -0.383175973809E+03 -0.32396E-04 -0.23494E-05 308 0.124E-02 0.542E-02
DAV: 24 -0.383176078487E+03 -0.10468E-03 -0.53382E-06 228 0.706E-03 0.545E-02
DAV: 25 -0.383175417181E+03 0.66131E-03 -0.13394E-03 324 0.171E-01 0.116E-01
DAV: 26 -0.383175525618E+03 -0.10844E-03 -0.14287E-03 332 0.965E-02 0.973E-02
DAV: 27 -0.383175523491E+03 0.21269E-05 -0.29488E-04 380 0.565E-02 0.944E-02
DAV: 28 -0.383175556141E+03 -0.32650E-04 -0.43663E-05 316 0.239E-02 0.960E-02
DAV: 29 -0.383176485643E+03 -0.92950E-03 -0.16676E-03 324 0.239E-01 0.729E-02
DAV: 30 -0.383175911370E+03 0.57427E-03 -0.54738E-03 380 0.276E-01 0.102E-01
DAV: 31 -0.383175948178E+03 -0.36808E-04 -0.29244E-03 324 0.117E-01 0.636E-02
DAV: 32 -0.383176701509E+03 -0.75333E-03 -0.33769E-04 292 0.497E-02 0.678E-02
DAV: 33 -0.383176564016E+03 0.13749E-03 -0.81713E-04 292 0.811E-02 0.720E-02
DAV: 34 -0.383182411869E+03 -0.58479E-02 -0.48513E-03 372 0.189E-01 0.160E-01
DAV: 35 -0.383183432342E+03 -0.10205E-02 -0.12096E-03 324 0.916E-02 0.149E-01
DAV: 36 -0.383183427629E+03 0.47129E-05 -0.15194E-04 324 0.318E-02 0.151E-01
DAV: 37 -0.383184258297E+03 -0.83067E-03 -0.85056E-05 276 0.267E-02 0.130E-01
DAV: 38 -0.383185962113E+03 -0.17038E-02 -0.46907E-04 300 0.515E-02 0.106E-01
DAV: 39 -0.383185856074E+03 0.10604E-03 -0.15246E-04 348 0.513E-02 0.119E-01
DAV: 40 -0.383185827588E+03 0.28486E-04 -0.70720E-05 324 0.196E-02 0.116E-01
DAV: 41 -0.383185826377E+03 0.12109E-05 -0.24530E-06 228 0.399E-03
1 F= -.38318583E+03 E0= -.38320448E+03 d E =0.559680E-01