./iterations/neb1_max2_image01_iter61_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 0.358421875743E+03 0.35842E+03 -0.15245E+04 408 0.705E+02
DAV: 2 0.267646381644E+01 -0.35575E+03 -0.34192E+03 584 0.154E+02
DAV: 3 -0.111010395967E+03 -0.11369E+03 -0.10561E+03 528 0.859E+01
DAV: 4 -0.119798891953E+03 -0.87885E+01 -0.86028E+01 488 0.283E+01
DAV: 5 -0.120029571882E+03 -0.23068E+00 -0.23023E+00 520 0.439E+00 0.239E+01
DAV: 6 -0.129123367552E+03 -0.90938E+01 -0.66885E+01 488 0.321E+01 0.336E+01
DAV: 7 -0.111830636726E+03 0.17293E+02 -0.12022E+01 432 0.125E+01 0.184E+01
DAV: 8 -0.107245062084E+03 0.45856E+01 -0.55619E+00 464 0.914E+00 0.864E+00
DAV: 9 -0.106011864919E+03 0.12332E+01 -0.28557E+00 432 0.710E+00 0.426E+00
DAV: 10 -0.105867379068E+03 0.14449E+00 -0.13577E+00 496 0.361E+00 0.401E+00
DAV: 11 -0.105932868485E+03 -0.65489E-01 -0.20757E+00 432 0.178E+00 0.105E+01
DAV: 12 -0.105847263483E+03 0.85605E-01 -0.22047E+00 489 0.155E+00 0.425E+00
DAV: 13 -0.105757020543E+03 0.90243E-01 -0.88686E-02 432 0.782E-01 0.321E+00
DAV: 14 -0.105716019921E+03 0.41001E-01 -0.17471E-01 464 0.655E-01 0.174E+00
DAV: 15 -0.105718983709E+03 -0.29638E-02 -0.15740E-02 512 0.420E-01 0.695E-01
DAV: 16 -0.105726769246E+03 -0.77855E-02 -0.12464E-02 432 0.286E-01 0.188E+00
DAV: 17 -0.105726412682E+03 0.35656E-03 -0.27378E-02 562 0.322E-01 0.124E+00
DAV: 18 -0.105729370800E+03 -0.29581E-02 -0.29371E-03 418 0.211E-01 0.530E-01
DAV: 19 -0.105733048697E+03 -0.36779E-02 -0.13736E-03 513 0.130E-01 0.245E-01
DAV: 20 -0.105739804731E+03 -0.67560E-02 -0.28971E-03 528 0.152E-01 0.726E-01
DAV: 21 -0.105741121115E+03 -0.13164E-02 -0.13839E-03 624 0.107E-01 0.611E-01
DAV: 22 -0.105742758289E+03 -0.16372E-02 -0.90619E-04 496 0.729E-02 0.222E-01
DAV: 23 -0.105744920299E+03 -0.21620E-02 -0.79467E-04 496 0.601E-02 0.339E-01
DAV: 24 -0.105746574036E+03 -0.16537E-02 -0.11317E-03 457 0.639E-02 0.460E-01
DAV: 25 -0.105746719707E+03 -0.14567E-03 -0.19627E-04 464 0.394E-02 0.220E-01
DAV: 26 -0.105747154727E+03 -0.43502E-03 -0.28726E-04 496 0.330E-02 0.188E-01
DAV: 27 -0.105747434840E+03 -0.28011E-03 -0.58673E-05 386 0.270E-02 0.537E-02
DAV: 28 -0.105747653624E+03 -0.21878E-03 -0.19945E-05 361 0.124E-02 0.846E-03
DAV: 29 -0.105747863650E+03 -0.21003E-03 -0.20610E-05 354 0.108E-02 0.469E-02
DAV: 30 -0.105747897289E+03 -0.33639E-04 -0.40521E-06 344 0.555E-03 0.166E-02
DAV: 31 -0.105747927553E+03 -0.30264E-04 -0.32735E-06 322 0.512E-03 0.715E-03
DAV: 32 -0.105747960889E+03 -0.33337E-04 -0.26623E-06 315 0.438E-03 0.455E-03
DAV: 33 -0.105747977208E+03 -0.16319E-04 -0.19597E-06 336 0.318E-03 0.342E-03
DAV: 34 -0.105747982410E+03 -0.52020E-05 -0.11241E-06 329 0.257E-03
1 F= -.10574798E+03 E0= -.10570908E+03 d E =-.116696E+00