./iterations/neb1_max2_image01_iter88_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 0.283651978770E+03 0.28365E+03 -0.14245E+04 376 0.704E+02
DAV: 2 0.307819268963E+02 -0.25287E+03 -0.24473E+03 528 0.135E+02
DAV: 3 -0.437518124871E+02 -0.74534E+02 -0.63424E+02 524 0.665E+01
DAV: 4 -0.572453582445E+02 -0.13494E+02 -0.10013E+02 576 0.240E+01
DAV: 5 -0.589058685902E+02 -0.16605E+01 -0.15674E+01 576 0.927E+00 0.262E+01
DAV: 6 -0.116554534148E+03 -0.57649E+02 -0.66467E+02 656 0.426E+01 0.477E+01
DAV: 7 -0.540801042930E+02 0.62474E+02 -0.66733E+01 560 0.170E+01 0.279E+01
DAV: 8 -0.467048349673E+02 0.73753E+01 -0.32310E+01 560 0.143E+01 0.246E+01
DAV: 9 -0.435686554759E+02 0.31362E+01 -0.58818E+00 640 0.587E+00 0.230E+01
DAV: 10 -0.399261784348E+02 0.36425E+01 -0.18525E+01 688 0.316E+00 0.172E+01
DAV: 11 -0.449680398544E+02 -0.50419E+01 -0.41836E+01 632 0.693E+00 0.328E+01
DAV: 12 -0.428290413922E+02 0.21390E+01 -0.17156E+01 632 0.459E+00 0.213E+01
DAV: 13 -0.408259124720E+02 0.20031E+01 -0.57604E+00 656 0.499E+00 0.265E+01
DAV: 14 -0.402627955470E+02 0.56312E+00 -0.24614E+00 634 0.239E+00 0.238E+01
DAV: 15 -0.403186123127E+02 -0.55817E-01 -0.55571E+00 608 0.143E+00 0.290E+01
DAV: 16 -0.392910572554E+02 0.10276E+01 -0.44536E+00 522 0.173E+00 0.132E+01
DAV: 17 -0.397802713460E+02 -0.48921E+00 -0.28118E+00 632 0.211E+00 0.112E+01
DAV: 18 -0.403687768697E+02 -0.58851E+00 -0.14769E+00 656 0.155E+00 0.177E+01
DAV: 19 -0.398811195843E+02 0.48766E+00 -0.92280E-01 644 0.970E-01 0.119E+01
DAV: 20 -0.398525842650E+02 0.28535E-01 -0.14389E+00 576 0.984E-01 0.138E+01
DAV: 21 -0.395466621984E+02 0.30592E+00 -0.26852E-01 600 0.858E-01 0.124E+01
DAV: 22 -0.393275534614E+02 0.21911E+00 -0.97970E-02 539 0.557E-01 0.104E+01
DAV: 23 -0.392346426792E+02 0.92911E-01 -0.57245E-01 648 0.921E-01 0.102E+01
DAV: 24 -0.390811695946E+02 0.15347E+00 -0.55763E-01 541 0.718E-01 0.714E+00
DAV: 25 -0.391166162515E+02 -0.35447E-01 -0.37978E-02 537 0.368E-01 0.804E+00
DAV: 26 -0.390773377083E+02 0.39279E-01 -0.18458E-01 640 0.415E-01 0.507E+00
DAV: 27 -0.391661853380E+02 -0.88848E-01 -0.63381E-01 688 0.537E-01 0.109E+01
DAV: 28 -0.390621721780E+02 0.10401E+00 -0.51913E-02 427 0.429E-01 0.823E+00
DAV: 29 -0.390190836830E+02 0.43088E-01 -0.84397E-02 616 0.255E-01 0.312E+00
DAV: 30 -0.390385057032E+02 -0.19422E-01 -0.32824E-02 512 0.316E-01 0.175E+00
DAV: 31 -0.390817559763E+02 -0.43250E-01 -0.18110E-01 656 0.328E-01 0.579E+00
DAV: 32 -0.390557344093E+02 0.26022E-01 -0.11532E-01 620 0.321E-01 0.253E+00
DAV: 33 -0.390734594317E+02 -0.17725E-01 -0.14307E-01 534 0.275E-01 0.447E+00
DAV: 34 -0.390666922328E+02 0.67672E-02 -0.16001E-01 626 0.291E-01 0.299E+00
DAV: 35 -0.390607261160E+02 0.59661E-02 -0.16626E-02 404 0.229E-01 0.143E+00
DAV: 36 -0.390635585412E+02 -0.28324E-02 -0.24886E-02 625 0.143E-01 0.108E+00
DAV: 37 -0.390653601320E+02 -0.18016E-02 -0.16713E-02 477 0.123E-01 0.101E+00
DAV: 38 -0.390645583745E+02 0.80176E-03 -0.12332E-03 452 0.727E-02 0.636E-01
DAV: 39 -0.390648985047E+02 -0.34013E-03 -0.67211E-04 473 0.354E-02 0.657E-01
DAV: 40 -0.390650199499E+02 -0.12145E-03 -0.38425E-03 570 0.499E-02 0.308E-01
DAV: 41 -0.390653965050E+02 -0.37656E-03 -0.84771E-04 391 0.510E-02 0.355E-01
DAV: 42 -0.390652573383E+02 0.13917E-03 -0.30566E-04 372 0.336E-02 0.768E-02
DAV: 43 -0.390653503307E+02 -0.92992E-04 -0.53318E-05 216 0.156E-02 0.757E-02
DAV: 44 -0.390653772662E+02 -0.26936E-04 -0.24529E-05 230 0.936E-03 0.534E-02
DAV: 45 -0.390653912886E+02 -0.14022E-04 -0.83303E-06 230 0.658E-03 0.560E-02
DAV: 46 -0.390653965397E+02 -0.52511E-05 -0.27667E-05 216 0.634E-03
1 F= -.39065397E+02 E0= -.38958809E+02 d E =-.319761E+00