./iterations/neb0_image07_iter26_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.162938895582E+04 0.16294E+04 -0.42276E+04 306 0.696E+02
DAV: 2 0.303284251035E+03 -0.13261E+04 -0.12479E+04 420 0.167E+02
DAV: 3 -0.355154992720E+03 -0.65844E+03 -0.65172E+03 356 0.123E+02
DAV: 4 -0.432942989019E+03 -0.77788E+02 -0.77504E+02 308 0.544E+01
DAV: 5 -0.434712982408E+03 -0.17700E+01 -0.17668E+01 332 0.839E+00 0.426E+01
DAV: 6 -0.388912907992E+03 0.45800E+02 -0.14788E+02 308 0.285E+01 0.208E+01
DAV: 7 -0.385420229046E+03 0.34927E+01 -0.12535E+01 348 0.783E+00 0.104E+01
DAV: 8 -0.384005674388E+03 0.14146E+01 -0.22169E+00 332 0.384E+00 0.429E+00
DAV: 9 -0.383454160123E+03 0.55151E+00 -0.17219E+00 332 0.240E+00 0.116E+00
DAV: 10 -0.383385883713E+03 0.68276E-01 -0.14549E-01 332 0.102E+00 0.829E-01
DAV: 11 -0.383349292456E+03 0.36591E-01 -0.79116E-02 324 0.735E-01 0.516E-01
DAV: 12 -0.383333321940E+03 0.15971E-01 -0.52772E-02 340 0.509E-01 0.527E-01
DAV: 13 -0.383322354205E+03 0.10968E-01 -0.52012E-02 332 0.380E-01 0.383E-01
DAV: 14 -0.383318322884E+03 0.40313E-02 -0.19600E-02 348 0.434E-01 0.445E-01
DAV: 15 -0.383320713497E+03 -0.23906E-02 -0.43892E-02 316 0.299E-01 0.206E-01
DAV: 16 -0.383326228232E+03 -0.55147E-02 -0.12040E-02 292 0.329E-01 0.157E-01
DAV: 17 -0.383333348584E+03 -0.71204E-02 -0.47244E-03 324 0.197E-01 0.173E-01
DAV: 18 -0.383342537381E+03 -0.91888E-02 -0.18288E-03 316 0.206E-01 0.927E-02
DAV: 19 -0.383346282066E+03 -0.37447E-02 -0.25437E-03 332 0.153E-01 0.974E-02
DAV: 20 -0.383347110398E+03 -0.82833E-03 -0.47998E-04 324 0.642E-02 0.900E-02
DAV: 21 -0.383347692650E+03 -0.58225E-03 -0.11220E-04 332 0.347E-02 0.859E-02
DAV: 22 -0.383361361456E+03 -0.13669E-01 -0.53876E-02 340 0.427E-01 0.506E-01
DAV: 23 -0.383353185648E+03 0.81758E-02 -0.55915E-02 316 0.274E-01 0.108E-01
DAV: 24 -0.383357955989E+03 -0.47703E-02 -0.16224E-03 316 0.895E-02 0.689E-02
DAV: 25 -0.383359487321E+03 -0.15313E-02 -0.87348E-04 340 0.623E-02 0.546E-02
DAV: 26 -0.383360167921E+03 -0.68060E-03 -0.11257E-03 316 0.612E-02 0.333E-02
DAV: 27 -0.383362263541E+03 -0.20956E-02 -0.23489E-04 292 0.424E-02 0.399E-02
DAV: 28 -0.383363083369E+03 -0.81983E-03 -0.14469E-04 364 0.309E-02 0.367E-02
DAV: 29 -0.383363091638E+03 -0.82690E-05 -0.21791E-05 276 0.109E-02
1 F= -.38336309E+03 E0= -.38338257E+03 d E =0.584228E-01