./iterations/neb1_max2_image01_iter117_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 0.283407782576E+03 0.28341E+03 -0.14246E+04 376 0.704E+02
DAV: 2 0.306856299265E+02 -0.25272E+03 -0.24459E+03 528 0.135E+02
DAV: 3 -0.441490652793E+02 -0.74835E+02 -0.63523E+02 540 0.665E+01
DAV: 4 -0.574011977194E+02 -0.13252E+02 -0.99524E+01 568 0.242E+01
DAV: 5 -0.589107121030E+02 -0.15095E+01 -0.14268E+01 568 0.890E+00 0.262E+01
DAV: 6 -0.116991870601E+03 -0.58081E+02 -0.66990E+02 656 0.427E+01 0.477E+01
DAV: 7 -0.545491074965E+02 0.62443E+02 -0.64837E+01 536 0.168E+01 0.282E+01
DAV: 8 -0.471206770172E+02 0.74284E+01 -0.31335E+01 584 0.138E+01 0.247E+01
DAV: 9 -0.439071978171E+02 0.32135E+01 -0.51109E+00 648 0.548E+00 0.235E+01
DAV: 10 -0.456197274529E+02 -0.17125E+01 -0.97074E+01 681 0.416E+00 0.312E+01
DAV: 11 -0.475839701065E+02 -0.19642E+01 -0.20821E+01 608 0.897E+00 0.343E+01
DAV: 12 -0.442284075012E+02 0.33556E+01 -0.44532E+01 640 0.495E+00 0.231E+01
DAV: 13 -0.409412777281E+02 0.32871E+01 -0.14076E+01 592 0.776E+00 0.184E+01
DAV: 14 -0.404523943834E+02 0.48888E+00 -0.73051E+00 632 0.385E+00 0.287E+01
DAV: 15 -0.395735562850E+02 0.87884E+00 -0.35334E+00 672 0.226E+00 0.145E+01
DAV: 16 -0.394619340070E+02 0.11162E+00 -0.59425E+00 680 0.181E+00 0.140E+01
DAV: 17 -0.393977829099E+02 0.64151E-01 -0.37225E+00 681 0.175E+00 0.126E+01
DAV: 18 -0.396390442013E+02 -0.24126E+00 -0.17601E+00 584 0.179E+00 0.138E+01
DAV: 19 -0.391966327300E+02 0.44241E+00 -0.90899E-01 656 0.106E+00 0.111E+01
DAV: 20 -0.391969454098E+02 -0.31268E-03 -0.75364E-01 576 0.952E-01 0.104E+01
DAV: 21 -0.392850793937E+02 -0.88134E-01 -0.80818E-01 628 0.857E-01 0.111E+01
DAV: 22 -0.390946487623E+02 0.19043E+00 -0.16349E-01 576 0.535E-01 0.802E+00
DAV: 23 -0.390240953012E+02 0.70553E-01 -0.27147E-01 656 0.462E-01 0.291E+00
DAV: 24 -0.390298910045E+02 -0.57957E-02 -0.81005E-02 603 0.347E-01 0.120E+00
DAV: 25 -0.390409917777E+02 -0.11101E-01 -0.86974E-02 688 0.255E-01 0.237E+00
DAV: 26 -0.390392693067E+02 0.17225E-02 -0.36389E-02 528 0.210E-01 0.972E-01
DAV: 27 -0.390455159422E+02 -0.62466E-02 -0.17617E-02 656 0.199E-01 0.120E+00
DAV: 28 -0.390605892629E+02 -0.15073E-01 -0.35463E-02 602 0.226E-01 0.291E+00
DAV: 29 -0.390684732316E+02 -0.78840E-02 -0.67249E-02 525 0.245E-01 0.484E+00
DAV: 30 -0.390562261858E+02 0.12247E-01 -0.86503E-03 412 0.154E-01 0.325E+00
DAV: 31 -0.391229081146E+02 -0.66682E-01 -0.58340E-01 616 0.441E-01 0.766E+00
DAV: 32 -0.390508263393E+02 0.72082E-01 -0.11876E-01 488 0.387E-01 0.294E+00
DAV: 33 -0.390517575136E+02 -0.93117E-03 -0.14575E-02 560 0.180E-01 0.124E+00
DAV: 34 -0.390568936562E+02 -0.51361E-02 -0.35095E-03 376 0.150E-01 0.733E-01
DAV: 35 -0.390572264834E+02 -0.33283E-03 -0.26634E-03 596 0.741E-02 0.161E-01
DAV: 36 -0.390590406969E+02 -0.18142E-02 -0.32937E-03 680 0.665E-02 0.913E-01
DAV: 37 -0.390577508292E+02 0.12899E-02 -0.24544E-03 404 0.619E-02 0.191E-01
DAV: 38 -0.390584461641E+02 -0.69533E-03 -0.43332E-04 462 0.416E-02 0.224E-01
DAV: 39 -0.390585432964E+02 -0.97132E-04 -0.53423E-04 344 0.299E-02 0.227E-01
DAV: 40 -0.390585338091E+02 0.94873E-05 -0.13523E-04 241 0.185E-02 0.883E-02
DAV: 41 -0.390585585710E+02 -0.24762E-04 -0.49937E-05 209 0.980E-03 0.383E-02
DAV: 42 -0.390585766652E+02 -0.18094E-04 -0.15456E-05 209 0.719E-03 0.649E-02
DAV: 43 -0.390585856908E+02 -0.90256E-05 -0.22833E-05 230 0.588E-03
1 F= -.39058586E+02 E0= -.38951705E+02 d E =-.320643E+00