./iterations/neb1_max2_image01_iter104_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 0.283403827848E+03 0.28340E+03 -0.14246E+04 376 0.704E+02
DAV: 2 0.306841228625E+02 -0.25272E+03 -0.24459E+03 528 0.135E+02
DAV: 3 -0.441505724571E+02 -0.74835E+02 -0.63521E+02 540 0.665E+01
DAV: 4 -0.574011561257E+02 -0.13251E+02 -0.99511E+01 568 0.242E+01
DAV: 5 -0.589108393744E+02 -0.15097E+01 -0.14268E+01 568 0.890E+00 0.262E+01
DAV: 6 -0.116997937851E+03 -0.58087E+02 -0.67003E+02 656 0.427E+01 0.477E+01
DAV: 7 -0.545568842412E+02 0.62441E+02 -0.64823E+01 536 0.168E+01 0.282E+01
DAV: 8 -0.470784623213E+02 0.74784E+01 -0.30775E+01 576 0.137E+01 0.247E+01
DAV: 9 -0.438853617475E+02 0.31931E+01 -0.55165E+00 656 0.563E+00 0.235E+01
DAV: 10 -0.455615742558E+02 -0.16762E+01 -0.95923E+01 681 0.416E+00 0.311E+01
DAV: 11 -0.477664234535E+02 -0.22048E+01 -0.21679E+01 608 0.904E+00 0.344E+01
DAV: 12 -0.442572574520E+02 0.35092E+01 -0.45121E+01 648 0.497E+00 0.231E+01
DAV: 13 -0.409914136236E+02 0.32658E+01 -0.14792E+01 608 0.769E+00 0.186E+01
DAV: 14 -0.404347517695E+02 0.55666E+00 -0.72071E+00 632 0.376E+00 0.285E+01
DAV: 15 -0.395671438661E+02 0.86761E+00 -0.36762E+00 665 0.222E+00 0.142E+01
DAV: 16 -0.394500402853E+02 0.11710E+00 -0.56885E+00 688 0.181E+00 0.140E+01
DAV: 17 -0.393547812156E+02 0.95259E-01 -0.32400E+00 688 0.170E+00 0.116E+01
DAV: 18 -0.395642500708E+02 -0.20947E+00 -0.20368E+00 576 0.176E+00 0.139E+01
DAV: 19 -0.392537335214E+02 0.31052E+00 -0.68049E-01 656 0.978E-01 0.112E+01
DAV: 20 -0.392223599033E+02 0.31374E-01 -0.17200E+00 584 0.122E+00 0.122E+01
DAV: 21 -0.393771564860E+02 -0.15480E+00 -0.26905E+00 624 0.109E+00 0.128E+01
DAV: 22 -0.391328311525E+02 0.24433E+00 -0.19128E-01 516 0.606E-01 0.916E+00
DAV: 23 -0.390258869751E+02 0.10694E+00 -0.20867E-01 592 0.498E-01 0.429E+00
DAV: 24 -0.390729160806E+02 -0.47029E-01 -0.12015E-01 656 0.372E-01 0.622E+00
DAV: 25 -0.390425385829E+02 0.30377E-01 -0.85643E-02 656 0.279E-01 0.313E+00
DAV: 26 -0.390407720428E+02 0.17665E-02 -0.11049E-01 576 0.269E-01 0.160E+00
DAV: 27 -0.390585840135E+02 -0.17812E-01 -0.41281E-02 570 0.236E-01 0.458E+00
DAV: 28 -0.390529359632E+02 0.56481E-02 -0.31082E-03 504 0.159E-01 0.444E+00
DAV: 29 -0.391261951220E+02 -0.73259E-01 -0.69831E-01 600 0.531E-01 0.808E+00
DAV: 30 -0.390534055629E+02 0.72790E-01 -0.95649E-02 472 0.421E-01 0.393E+00
DAV: 31 -0.390466127727E+02 0.67928E-02 -0.26528E-02 496 0.218E-01 0.143E+00
DAV: 32 -0.390589789989E+02 -0.12366E-01 -0.39346E-02 575 0.217E-01 0.225E+00
DAV: 33 -0.390565833994E+02 0.23956E-02 -0.15994E-02 564 0.177E-01 0.993E-01
DAV: 34 -0.390627411368E+02 -0.61577E-02 -0.43118E-02 549 0.160E-01 0.243E+00
DAV: 35 -0.390567567922E+02 0.59843E-02 -0.45835E-02 509 0.159E-01 0.109E+00
DAV: 36 -0.390591922299E+02 -0.24354E-02 -0.10909E-03 383 0.112E-01 0.126E+00
DAV: 37 -0.390574813020E+02 0.17109E-02 -0.79229E-03 472 0.627E-02 0.266E-01
DAV: 38 -0.390584696114E+02 -0.98831E-03 -0.20362E-04 418 0.608E-02 0.317E-01
DAV: 39 -0.390583754373E+02 0.94174E-04 -0.44390E-04 304 0.189E-02 0.385E-02
DAV: 40 -0.390584757039E+02 -0.10027E-03 -0.58867E-05 344 0.148E-02 0.931E-02
DAV: 41 -0.390585071927E+02 -0.31489E-04 -0.22073E-05 244 0.105E-02 0.140E-01
DAV: 42 -0.390584994103E+02 0.77824E-05 -0.15086E-04 195 0.916E-03 0.841E-02
DAV: 43 -0.390585184577E+02 -0.19047E-04 -0.19011E-05 209 0.108E-02 0.623E-02
DAV: 44 -0.390585157264E+02 0.27313E-05 -0.77103E-06 188 0.455E-03
1 F= -.39058516E+02 E0= -.38951592E+02 d E =-.320772E+00