./iterations/neb1_max2_image01_iter140_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 0.283695879833E+03 0.28370E+03 -0.14245E+04 376 0.704E+02
DAV: 2 0.307979711528E+02 -0.25290E+03 -0.24476E+03 528 0.135E+02
DAV: 3 -0.437359833172E+02 -0.74534E+02 -0.63457E+02 524 0.665E+01
DAV: 4 -0.572447807657E+02 -0.13509E+02 -0.10021E+02 576 0.240E+01
DAV: 5 -0.589045653758E+02 -0.16598E+01 -0.15675E+01 576 0.927E+00 0.262E+01
DAV: 6 -0.116497395044E+03 -0.57593E+02 -0.66390E+02 656 0.425E+01 0.476E+01
DAV: 7 -0.540216836067E+02 0.62476E+02 -0.66325E+01 560 0.170E+01 0.279E+01
DAV: 8 -0.467080626765E+02 0.73136E+01 -0.32852E+01 568 0.143E+01 0.246E+01
DAV: 9 -0.436200983156E+02 0.30880E+01 -0.58789E+00 648 0.584E+00 0.230E+01
DAV: 10 -0.399131613711E+02 0.37069E+01 -0.16708E+01 688 0.306E+00 0.189E+01
DAV: 11 -0.438934957773E+02 -0.39803E+01 -0.34659E+01 640 0.659E+00 0.313E+01
DAV: 12 -0.429755184833E+02 0.91798E+00 -0.18738E+01 664 0.478E+00 0.220E+01
DAV: 13 -0.408275151158E+02 0.21480E+01 -0.51633E+00 648 0.451E+00 0.248E+01
DAV: 14 -0.403096265903E+02 0.51789E+00 -0.24618E+00 650 0.253E+00 0.200E+01
DAV: 15 -0.394182122909E+02 0.89141E+00 -0.31729E+00 640 0.157E+00 0.172E+01
DAV: 16 -0.391308854220E+02 0.28733E+00 -0.24041E+00 643 0.163E+00 0.963E+00
DAV: 17 -0.396290798586E+02 -0.49819E+00 -0.26558E+00 601 0.187E+00 0.127E+01
DAV: 18 -0.396224031343E+02 0.66767E-02 -0.45368E-01 576 0.107E+00 0.123E+01
DAV: 19 -0.392673106836E+02 0.35509E+00 -0.11463E+00 688 0.105E+00 0.117E+01
DAV: 20 -0.392206104930E+02 0.46700E-01 -0.18847E+00 649 0.111E+00 0.103E+01
DAV: 21 -0.390868164408E+02 0.13379E+00 -0.10028E+00 688 0.916E-01 0.771E+00
DAV: 22 -0.391016350974E+02 -0.14819E-01 -0.60492E-01 548 0.653E-01 0.669E+00
DAV: 23 -0.390849600926E+02 0.16675E-01 -0.56858E-01 688 0.606E-01 0.768E+00
DAV: 24 -0.390473379525E+02 0.37622E-01 -0.19567E-01 561 0.473E-01 0.476E+00
DAV: 25 -0.390471040527E+02 0.23390E-03 -0.32732E-02 576 0.295E-01 0.347E+00
DAV: 26 -0.390981570685E+02 -0.51053E-01 -0.18968E-01 608 0.355E-01 0.638E+00
DAV: 27 -0.390459483574E+02 0.52209E-01 -0.53100E-02 491 0.340E-01 0.268E+00
DAV: 28 -0.390533817493E+02 -0.74334E-02 -0.32858E-02 632 0.215E-01 0.779E-01
DAV: 29 -0.390685240834E+02 -0.15142E-01 -0.68883E-03 515 0.199E-01 0.191E+00
DAV: 30 -0.390682581637E+02 0.26592E-03 -0.46138E-02 688 0.205E-01 0.198E+00
DAV: 31 -0.390714811145E+02 -0.32230E-02 -0.68176E-02 522 0.183E-01 0.274E+00
DAV: 32 -0.390633972851E+02 0.80838E-02 -0.97731E-03 418 0.141E-01 0.119E+00
DAV: 33 -0.390645814523E+02 -0.11842E-02 -0.32480E-03 520 0.899E-02 0.431E-01
DAV: 34 -0.390667390269E+02 -0.21576E-02 -0.99330E-04 514 0.609E-02 0.753E-01
DAV: 35 -0.390673339445E+02 -0.59492E-03 -0.10092E-02 642 0.643E-02 0.960E-01
DAV: 36 -0.390665135575E+02 0.82039E-03 -0.23472E-03 427 0.748E-02 0.296E-01
DAV: 37 -0.390668722922E+02 -0.35873E-03 -0.50442E-04 459 0.385E-02 0.109E-01
DAV: 38 -0.390669602509E+02 -0.87959E-04 -0.52979E-05 360 0.227E-02 0.660E-02
DAV: 39 -0.390670157599E+02 -0.55509E-04 -0.13851E-04 272 0.125E-02 0.151E-01
DAV: 40 -0.390670047689E+02 0.10991E-04 -0.51014E-05 258 0.129E-02 0.705E-02
DAV: 41 -0.390670345763E+02 -0.29807E-04 -0.10360E-04 258 0.877E-03 0.108E-01
DAV: 42 -0.390670302486E+02 0.43277E-05 -0.22782E-05 251 0.108E-02
1 F= -.39067030E+02 E0= -.38960515E+02 d E =-.319546E+00