./iterations/neb1_max2_image01_iter95_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 0.278288071464E+03 0.27829E+03 -0.14306E+04 384 0.704E+02
DAV: 2 0.291741188010E+02 -0.24911E+03 -0.24139E+03 528 0.135E+02
DAV: 3 -0.441811699660E+02 -0.73355E+02 -0.61825E+02 532 0.656E+01
DAV: 4 -0.574196080283E+02 -0.13238E+02 -0.99205E+01 568 0.239E+01
DAV: 5 -0.589117737636E+02 -0.14922E+01 -0.14026E+01 568 0.881E+00 0.262E+01
DAV: 6 -0.117151935080E+03 -0.58240E+02 -0.67353E+02 656 0.427E+01 0.478E+01
DAV: 7 -0.540373194211E+02 0.63115E+02 -0.60582E+01 552 0.169E+01 0.278E+01
DAV: 8 -0.466113541841E+02 0.74260E+01 -0.32861E+01 568 0.142E+01 0.246E+01
DAV: 9 -0.436399868577E+02 0.29714E+01 -0.57987E+00 664 0.590E+00 0.231E+01
DAV: 10 -0.406152956948E+02 0.30247E+01 -0.29132E+01 688 0.369E+00 0.187E+01
DAV: 11 -0.450489539154E+02 -0.44337E+01 -0.31477E+01 608 0.791E+00 0.327E+01
DAV: 12 -0.429498094470E+02 0.20991E+01 -0.16646E+01 624 0.494E+00 0.207E+01
DAV: 13 -0.400174450880E+02 0.29324E+01 -0.32551E+00 648 0.358E+00 0.127E+01
DAV: 14 -0.397878838264E+02 0.22956E+00 -0.24749E+00 688 0.229E+00 0.247E+01
DAV: 15 -0.393944272433E+02 0.39346E+00 -0.43821E+00 633 0.126E+00 0.112E+01
DAV: 16 -0.400461329369E+02 -0.65171E+00 -0.38317E+00 632 0.165E+00 0.145E+01
DAV: 17 -0.398696925210E+02 0.17644E+00 -0.36086E+00 624 0.263E+00 0.186E+01
DAV: 18 -0.400873631630E+02 -0.21767E+00 -0.94266E-01 598 0.149E+00 0.194E+01
DAV: 19 -0.395926977416E+02 0.49467E+00 -0.57369E-01 642 0.128E+00 0.164E+01
DAV: 20 -0.393077728983E+02 0.28492E+00 -0.30954E-01 667 0.698E-01 0.143E+01
DAV: 21 -0.390415808631E+02 0.26619E+00 -0.14004E+00 544 0.984E-01 0.690E+00
DAV: 22 -0.390165376687E+02 0.25043E-01 -0.23699E-01 502 0.687E-01 0.426E+00
DAV: 23 -0.390569307710E+02 -0.40393E-01 -0.16406E-01 664 0.451E-01 0.502E+00
DAV: 24 -0.390416509829E+02 0.15280E-01 -0.50669E-02 521 0.258E-01 0.403E+00
DAV: 25 -0.390529512559E+02 -0.11300E-01 -0.18020E-01 656 0.343E-01 0.444E+00
DAV: 26 -0.391211806494E+02 -0.68229E-01 -0.23539E-01 600 0.445E-01 0.107E+01
DAV: 27 -0.390365385574E+02 0.84642E-01 -0.68468E-02 536 0.296E-01 0.544E+00
DAV: 28 -0.390795805218E+02 -0.43042E-01 -0.50310E-01 600 0.484E-01 0.615E+00
DAV: 29 -0.390469101352E+02 0.32670E-01 -0.78495E-02 416 0.375E-01 0.211E+00
DAV: 30 -0.390816567832E+02 -0.34747E-01 -0.69994E-02 536 0.229E-01 0.554E+00
DAV: 31 -0.390438595065E+02 0.37797E-01 -0.64267E-02 550 0.238E-01 0.171E+00
DAV: 32 -0.390517836396E+02 -0.79241E-02 -0.24178E-02 512 0.188E-01 0.114E+00
DAV: 33 -0.390583405842E+02 -0.65569E-02 -0.40634E-03 376 0.157E-01 0.171E+00
DAV: 34 -0.390552824270E+02 0.30582E-02 -0.15466E-02 620 0.115E-01 0.473E-01
DAV: 35 -0.390570555181E+02 -0.17731E-02 -0.21819E-03 560 0.880E-02 0.142E-01
DAV: 36 -0.390579133811E+02 -0.85786E-03 -0.12930E-03 616 0.523E-02 0.559E-01
DAV: 37 -0.390574239366E+02 0.48944E-03 -0.22981E-03 527 0.553E-02 0.275E-01
DAV: 38 -0.390577450167E+02 -0.32108E-03 -0.74179E-04 420 0.464E-02 0.300E-01
DAV: 39 -0.390577589996E+02 -0.13983E-04 -0.84564E-04 335 0.219E-02 0.192E-01
DAV: 40 -0.390578427363E+02 -0.83737E-04 -0.26972E-04 284 0.225E-02 0.112E-01
DAV: 41 -0.390578574605E+02 -0.14724E-04 -0.68883E-05 188 0.147E-02 0.881E-02
DAV: 42 -0.390578741231E+02 -0.16663E-04 -0.36325E-05 237 0.994E-03 0.333E-02
DAV: 43 -0.390578851789E+02 -0.11056E-04 -0.58784E-06 216 0.557E-03 0.356E-02
DAV: 44 -0.390578927414E+02 -0.75626E-05 -0.41950E-06 195 0.475E-03
1 F= -.39057893E+02 E0= -.38950831E+02 d E =-.321185E+00