./iterations/neb1_max2_image01_iter112_OSZICAR.out output for 41: 3.3A-->1.3A (Job 121) O-H...N hydrogen bond by TSA-OH, TSA-NH2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.278266750617E+03 0.27827E+03 -0.14306E+04 384 0.704E+02
DAV: 2 0.291663107468E+02 -0.24910E+03 -0.24138E+03 528 0.135E+02
DAV: 3 -0.441905357672E+02 -0.73357E+02 -0.61813E+02 532 0.656E+01
DAV: 4 -0.574181496197E+02 -0.13228E+02 -0.99146E+01 568 0.239E+01
DAV: 5 -0.589122188448E+02 -0.14941E+01 -0.14034E+01 568 0.881E+00 0.262E+01
DAV: 6 -0.117181559519E+03 -0.58269E+02 -0.67435E+02 656 0.427E+01 0.478E+01
DAV: 7 -0.540959772821E+02 0.63086E+02 -0.60306E+01 552 0.169E+01 0.279E+01
DAV: 8 -0.466304031054E+02 0.74656E+01 -0.32565E+01 560 0.142E+01 0.246E+01
DAV: 9 -0.436211047605E+02 0.30093E+01 -0.60228E+00 664 0.598E+00 0.232E+01
DAV: 10 -0.406977195929E+02 0.29234E+01 -0.30393E+01 688 0.372E+00 0.188E+01
DAV: 11 -0.450158920060E+02 -0.43182E+01 -0.32761E+01 624 0.799E+00 0.319E+01
DAV: 12 -0.428043157328E+02 0.22116E+01 -0.15233E+01 600 0.488E+00 0.207E+01
DAV: 13 -0.401042694471E+02 0.27000E+01 -0.32873E+00 648 0.356E+00 0.154E+01
DAV: 14 -0.399041787756E+02 0.20009E+00 -0.33205E+00 688 0.224E+00 0.237E+01
DAV: 15 -0.400276346843E+02 -0.12346E+00 -0.59524E+00 592 0.175E+00 0.176E+01
DAV: 16 -0.394158199960E+02 0.61181E+00 -0.42939E+00 681 0.151E+00 0.149E+01
DAV: 17 -0.394137271814E+02 0.20928E-02 -0.45626E+00 656 0.175E+00 0.142E+01
DAV: 18 -0.399568858049E+02 -0.54316E+00 -0.13566E+00 656 0.120E+00 0.191E+01
DAV: 19 -0.398191739011E+02 0.13771E+00 -0.73189E-01 642 0.116E+00 0.178E+01
DAV: 20 -0.391134196626E+02 0.70575E+00 -0.55865E-01 656 0.887E-01 0.111E+01
DAV: 21 -0.392897062259E+02 -0.17629E+00 -0.19817E+00 587 0.121E+00 0.162E+01
DAV: 22 -0.391265256468E+02 0.16318E+00 -0.19643E-01 504 0.933E-01 0.968E+00
DAV: 23 -0.390712834320E+02 0.55242E-01 -0.95383E-02 688 0.406E-01 0.750E+00
DAV: 24 -0.390611802336E+02 0.10103E-01 -0.28874E-01 688 0.416E-01 0.630E+00
DAV: 25 -0.390568402971E+02 0.43399E-02 -0.17203E-01 650 0.470E-01 0.576E+00
DAV: 26 -0.390751242401E+02 -0.18284E-01 -0.49725E-02 681 0.267E-01 0.663E+00
DAV: 27 -0.390655644107E+02 0.95598E-02 -0.61643E-01 648 0.495E-01 0.592E+00
DAV: 28 -0.390501328465E+02 0.15432E-01 -0.30006E-02 432 0.340E-01 0.364E+00
DAV: 29 -0.390826753645E+02 -0.32543E-01 -0.30373E-01 618 0.383E-01 0.619E+00
DAV: 30 -0.390548060531E+02 0.27869E-01 -0.27580E-01 636 0.442E-01 0.317E+00
DAV: 31 -0.390540563020E+02 0.74975E-03 -0.49048E-02 481 0.291E-01 0.217E+00
DAV: 32 -0.390530813216E+02 0.97498E-03 -0.10266E-02 576 0.165E-01 0.927E-01
DAV: 33 -0.390569826630E+02 -0.39013E-02 -0.43047E-03 502 0.963E-02 0.146E+00
DAV: 34 -0.390548205570E+02 0.21621E-02 -0.93698E-03 554 0.100E-01 0.515E-01
DAV: 35 -0.390569459150E+02 -0.21254E-02 -0.37823E-03 445 0.856E-02 0.525E-01
DAV: 36 -0.390573542722E+02 -0.40836E-03 -0.29806E-03 552 0.533E-02 0.609E-01
DAV: 37 -0.390572097146E+02 0.14456E-03 -0.10625E-03 419 0.627E-02 0.411E-01
DAV: 38 -0.390573204897E+02 -0.11078E-03 -0.11852E-03 480 0.330E-02 0.195E-01
DAV: 39 -0.390574314670E+02 -0.11098E-03 -0.27518E-04 400 0.267E-02 0.133E-01
DAV: 40 -0.390574756887E+02 -0.44222E-04 -0.41499E-05 332 0.239E-02 0.749E-02
DAV: 41 -0.390575036030E+02 -0.27914E-04 -0.85993E-05 188 0.956E-03 0.982E-02
DAV: 42 -0.390575149923E+02 -0.11389E-04 -0.22763E-05 209 0.821E-03 0.405E-02
DAV: 43 -0.390575350237E+02 -0.20031E-04 -0.30012E-05 230 0.622E-03 0.721E-02
DAV: 44 -0.390575336670E+02 0.13567E-05 -0.33253E-05 195 0.723E-03
1 F= -.39057534E+02 E0= -.38950592E+02 d E =-.320824E+00