./iterations/neb1_max2_image01_iter90_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 0.278244043339E+03 0.27824E+03 -0.14306E+04 384 0.704E+02
DAV: 2 0.291578898808E+02 -0.24909E+03 -0.24137E+03 528 0.135E+02
DAV: 3 -0.442004677085E+02 -0.73358E+02 -0.61800E+02 532 0.656E+01
DAV: 4 -0.574164153276E+02 -0.13216E+02 -0.99078E+01 568 0.239E+01
DAV: 5 -0.589126836683E+02 -0.14963E+01 -0.14043E+01 568 0.881E+00 0.262E+01
DAV: 6 -0.117212784074E+03 -0.58300E+02 -0.67518E+02 656 0.427E+01 0.478E+01
DAV: 7 -0.541734352869E+02 0.63039E+02 -0.60114E+01 552 0.169E+01 0.279E+01
DAV: 8 -0.466603251636E+02 0.75131E+01 -0.32316E+01 560 0.139E+01 0.246E+01
DAV: 9 -0.436101173393E+02 0.30502E+01 -0.60227E+00 664 0.601E+00 0.232E+01
DAV: 10 -0.407897955553E+02 0.28203E+01 -0.31047E+01 688 0.377E+00 0.195E+01
DAV: 11 -0.450046738620E+02 -0.42149E+01 -0.34083E+01 640 0.784E+00 0.313E+01
DAV: 12 -0.426696144157E+02 0.23351E+01 -0.13550E+01 640 0.480E+00 0.206E+01
DAV: 13 -0.402098376293E+02 0.24598E+01 -0.33123E+00 656 0.347E+00 0.182E+01
DAV: 14 -0.401517547220E+02 0.58083E-01 -0.36670E+00 672 0.222E+00 0.237E+01
DAV: 15 -0.398737814015E+02 0.27797E+00 -0.54909E+00 648 0.155E+00 0.217E+01
DAV: 16 -0.396822628152E+02 0.19152E+00 -0.19928E+00 619 0.143E+00 0.146E+01
DAV: 17 -0.395591372364E+02 0.12313E+00 -0.48957E+00 680 0.182E+00 0.168E+01
DAV: 18 -0.399400499496E+02 -0.38091E+00 -0.13352E+00 634 0.137E+00 0.182E+01
DAV: 19 -0.397560883811E+02 0.18396E+00 -0.61381E-01 657 0.110E+00 0.178E+01
DAV: 20 -0.393564796034E+02 0.39961E+00 -0.30921E-01 656 0.622E-01 0.137E+01
DAV: 21 -0.390859942334E+02 0.27049E+00 -0.11725E+00 649 0.982E-01 0.761E+00
DAV: 22 -0.391075620827E+02 -0.21568E-01 -0.24001E-01 498 0.813E-01 0.766E+00
DAV: 23 -0.391743507188E+02 -0.66789E-01 -0.68400E-02 656 0.464E-01 0.934E+00
DAV: 24 -0.390685849922E+02 0.10577E+00 -0.14863E-01 643 0.366E-01 0.668E+00
DAV: 25 -0.390760590898E+02 -0.74741E-02 -0.49835E-02 560 0.295E-01 0.786E+00
DAV: 26 -0.390714128573E+02 0.46462E-02 -0.35018E-03 397 0.182E-01 0.719E+00
DAV: 27 -0.390669554735E+02 0.44574E-02 -0.44181E-02 688 0.201E-01 0.572E+00
DAV: 28 -0.390290717349E+02 0.37884E-01 -0.18629E-01 624 0.394E-01 0.155E+00
DAV: 29 -0.390484443028E+02 -0.19373E-01 -0.16988E-02 397 0.322E-01 0.142E+00
DAV: 30 -0.390769467694E+02 -0.28502E-01 -0.16650E-01 640 0.284E-01 0.499E+00
DAV: 31 -0.390508487130E+02 0.26098E-01 -0.10921E-01 656 0.289E-01 0.193E+00
DAV: 32 -0.390537693053E+02 -0.29206E-02 -0.29055E-03 460 0.156E-01 0.151E+00
DAV: 33 -0.390526157142E+02 0.11536E-02 -0.86170E-03 672 0.106E-01 0.532E-01
DAV: 34 -0.390564005577E+02 -0.37848E-02 -0.19721E-03 376 0.125E-01 0.498E-01
DAV: 35 -0.390564046470E+02 -0.40892E-05 -0.18681E-03 546 0.647E-02 0.321E-01
DAV: 36 -0.390569233820E+02 -0.51874E-03 -0.97668E-04 512 0.530E-02 0.454E-01
DAV: 37 -0.390570561703E+02 -0.13279E-03 -0.22427E-03 440 0.507E-02 0.518E-01
DAV: 38 -0.390569915836E+02 0.64587E-04 -0.83029E-04 376 0.510E-02 0.169E-01
DAV: 39 -0.390570735282E+02 -0.81945E-04 -0.27023E-04 289 0.217E-02 0.135E-01
DAV: 40 -0.390571264133E+02 -0.52885E-04 -0.96110E-05 233 0.186E-02 0.730E-02
DAV: 41 -0.390571649874E+02 -0.38574E-04 -0.79411E-05 195 0.124E-02 0.862E-02
DAV: 42 -0.390571790470E+02 -0.14060E-04 -0.41796E-05 223 0.102E-02 0.367E-02
DAV: 43 -0.390572006926E+02 -0.21646E-04 -0.45807E-05 216 0.773E-03 0.829E-02
DAV: 44 -0.390571973750E+02 0.33176E-05 -0.62887E-05 195 0.810E-03
1 F= -.39057197E+02 E0= -.38950160E+02 d E =-.321111E+00