./iterations/neb1_max2_image01_iter93_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 0.283926919337E+03 0.28393E+03 -0.14245E+04 376 0.704E+02
DAV: 2 0.308755080268E+02 -0.25305E+03 -0.24490E+03 528 0.135E+02
DAV: 3 -0.429544609691E+02 -0.73830E+02 -0.62709E+02 516 0.666E+01
DAV: 4 -0.572153944781E+02 -0.14261E+02 -0.10764E+02 592 0.241E+01
DAV: 5 -0.588844307513E+02 -0.16690E+01 -0.15870E+01 552 0.944E+00 0.262E+01
DAV: 6 -0.116106923076E+03 -0.57222E+02 -0.66099E+02 656 0.426E+01 0.476E+01
DAV: 7 -0.538315977796E+02 0.62275E+02 -0.64775E+01 544 0.171E+01 0.279E+01
DAV: 8 -0.470757349780E+02 0.67559E+01 -0.33861E+01 584 0.143E+01 0.246E+01
DAV: 9 -0.441993348222E+02 0.28764E+01 -0.47583E+00 601 0.546E+00 0.238E+01
DAV: 10 -0.440878466650E+02 0.11149E+00 -0.51207E+01 681 0.377E+00 0.309E+01
DAV: 11 -0.464664508604E+02 -0.23786E+01 -0.19053E+01 609 0.725E+00 0.332E+01
DAV: 12 -0.430146616979E+02 0.34518E+01 -0.17371E+01 634 0.528E+00 0.219E+01
DAV: 13 -0.402395577487E+02 0.27751E+01 -0.97886E+00 624 0.653E+00 0.274E+01
DAV: 14 -0.396348007608E+02 0.60476E+00 -0.31933E+00 688 0.255E+00 0.159E+01
DAV: 15 -0.395329802427E+02 0.10182E+00 -0.66220E+00 642 0.247E+00 0.150E+01
DAV: 16 -0.391389353222E+02 0.39404E+00 -0.14937E+00 688 0.164E+00 0.761E+00
DAV: 17 -0.398713097451E+02 -0.73237E+00 -0.24291E+00 648 0.152E+00 0.186E+01
DAV: 18 -0.391460902484E+02 0.72522E+00 -0.24930E+00 664 0.135E+00 0.104E+01
DAV: 19 -0.390888795262E+02 0.57211E-01 -0.69771E-01 577 0.103E+00 0.732E+00
DAV: 20 -0.390504236084E+02 0.38456E-01 -0.71655E-01 672 0.813E-01 0.547E+00
DAV: 21 -0.391104278743E+02 -0.60004E-01 -0.56100E-01 656 0.645E-01 0.668E+00
DAV: 22 -0.390754068642E+02 0.35021E-01 -0.23388E-01 544 0.427E-01 0.584E+00
DAV: 23 -0.390545619846E+02 0.20845E-01 -0.35454E-01 656 0.535E-01 0.402E+00
DAV: 24 -0.390593612719E+02 -0.47993E-02 -0.53270E-02 648 0.368E-01 0.401E+00
DAV: 25 -0.390540777573E+02 0.52835E-02 -0.15869E-01 624 0.290E-01 0.194E+00
DAV: 26 -0.390785721206E+02 -0.24494E-01 -0.51755E-02 537 0.299E-01 0.358E+00
DAV: 27 -0.390654554539E+02 0.13117E-01 -0.88792E-02 593 0.246E-01 0.195E+00
DAV: 28 -0.390806113466E+02 -0.15156E-01 -0.96936E-02 506 0.264E-01 0.318E+00
DAV: 29 -0.390729784615E+02 0.76329E-02 -0.11782E-01 569 0.247E-01 0.179E+00
DAV: 30 -0.390742788878E+02 -0.13004E-02 -0.20344E-02 412 0.157E-01 0.418E-01
DAV: 31 -0.390779495212E+02 -0.36706E-02 -0.59419E-03 608 0.100E-01 0.154E+00
DAV: 32 -0.390752628127E+02 0.26867E-02 -0.99712E-03 466 0.102E-01 0.500E-01
DAV: 33 -0.390766224312E+02 -0.13596E-02 -0.96999E-04 464 0.732E-02 0.197E-01
DAV: 34 -0.390768917819E+02 -0.26935E-03 -0.24462E-04 473 0.343E-02 0.151E-01
DAV: 35 -0.390774704665E+02 -0.57868E-03 -0.23358E-03 537 0.343E-02 0.656E-01
DAV: 36 -0.390770562166E+02 0.41425E-03 -0.50156E-04 425 0.411E-02 0.360E-01
DAV: 37 -0.390770792148E+02 -0.22998E-04 -0.43974E-04 384 0.221E-02 0.563E-02
DAV: 38 -0.390772622224E+02 -0.18301E-03 -0.33493E-05 337 0.224E-02 0.422E-02
DAV: 39 -0.390773085489E+02 -0.46327E-04 -0.14603E-04 251 0.105E-02 0.159E-01
DAV: 40 -0.390772957007E+02 0.12848E-04 -0.40756E-05 265 0.128E-02 0.672E-02
DAV: 41 -0.390773097491E+02 -0.14048E-04 -0.12302E-05 251 0.587E-03 0.253E-02
DAV: 42 -0.390773174363E+02 -0.76872E-05 -0.19576E-06 265 0.403E-03
1 F= -.39077317E+02 E0= -.38971267E+02 d E =-.318151E+00