./iterations/neb1_max2_image01_iter103_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 0.278245791079E+03 0.27825E+03 -0.14306E+04 384 0.704E+02
DAV: 2 0.291585416515E+02 -0.24909E+03 -0.24137E+03 528 0.135E+02
DAV: 3 -0.441997044991E+02 -0.73358E+02 -0.61801E+02 532 0.656E+01
DAV: 4 -0.574165543160E+02 -0.13217E+02 -0.99084E+01 568 0.239E+01
DAV: 5 -0.589126476525E+02 -0.14961E+01 -0.14042E+01 568 0.881E+00 0.262E+01
DAV: 6 -0.117210393635E+03 -0.58298E+02 -0.67512E+02 656 0.427E+01 0.478E+01
DAV: 7 -0.541673352033E+02 0.63043E+02 -0.60127E+01 552 0.169E+01 0.279E+01
DAV: 8 -0.466578887458E+02 0.75094E+01 -0.32332E+01 560 0.139E+01 0.246E+01
DAV: 9 -0.436097843420E+02 0.30481E+01 -0.60175E+00 664 0.601E+00 0.232E+01
DAV: 10 -0.407837450784E+02 0.28260E+01 -0.30990E+01 688 0.377E+00 0.194E+01
DAV: 11 -0.450024910795E+02 -0.42187E+01 -0.34029E+01 640 0.783E+00 0.313E+01
DAV: 12 -0.426712246720E+02 0.23313E+01 -0.13580E+01 640 0.480E+00 0.206E+01
DAV: 13 -0.402038926363E+02 0.24673E+01 -0.33024E+00 656 0.347E+00 0.181E+01
DAV: 14 -0.401399708693E+02 0.63922E-01 -0.36624E+00 672 0.222E+00 0.237E+01
DAV: 15 -0.398723249009E+02 0.26765E+00 -0.55514E+00 648 0.156E+00 0.216E+01
DAV: 16 -0.396657354389E+02 0.20659E+00 -0.19786E+00 619 0.142E+00 0.145E+01
DAV: 17 -0.395557719820E+02 0.10996E+00 -0.48535E+00 672 0.181E+00 0.168E+01
DAV: 18 -0.399557313524E+02 -0.39996E+00 -0.13346E+00 634 0.137E+00 0.183E+01
DAV: 19 -0.397603476070E+02 0.19538E+00 -0.60599E-01 657 0.109E+00 0.179E+01
DAV: 20 -0.393527444574E+02 0.40760E+00 -0.31410E-01 656 0.620E-01 0.137E+01
DAV: 21 -0.390773696165E+02 0.27537E+00 -0.12023E+00 649 0.998E-01 0.725E+00
DAV: 22 -0.391077281639E+02 -0.30359E-01 -0.24422E-01 498 0.820E-01 0.763E+00
DAV: 23 -0.391941384518E+02 -0.86410E-01 -0.92462E-02 656 0.493E-01 0.978E+00
DAV: 24 -0.390763400259E+02 0.11780E+00 -0.12617E-01 643 0.353E-01 0.684E+00
DAV: 25 -0.390798487558E+02 -0.35087E-02 -0.60157E-02 616 0.292E-01 0.798E+00
DAV: 26 -0.390780968409E+02 0.17519E-02 -0.28655E-03 390 0.183E-01 0.745E+00
DAV: 27 -0.390611115153E+02 0.16985E-01 -0.44150E-02 688 0.201E-01 0.549E+00
DAV: 28 -0.390276308952E+02 0.33481E-01 -0.15526E-01 624 0.371E-01 0.134E+00
DAV: 29 -0.390479436485E+02 -0.20313E-01 -0.14888E-02 397 0.310E-01 0.138E+00
DAV: 30 -0.390778411680E+02 -0.29898E-01 -0.16917E-01 640 0.279E-01 0.510E+00
DAV: 31 -0.390519213598E+02 0.25920E-01 -0.98746E-02 656 0.288E-01 0.227E+00
DAV: 32 -0.390520240298E+02 -0.10267E-03 -0.38317E-03 508 0.158E-01 0.141E+00
DAV: 33 -0.390528187589E+02 -0.79473E-03 -0.90460E-03 592 0.111E-01 0.661E-01
DAV: 34 -0.390570299766E+02 -0.42112E-02 -0.30877E-03 408 0.123E-01 0.792E-01
DAV: 35 -0.390560147435E+02 0.10152E-02 -0.28810E-03 508 0.780E-02 0.246E-01
DAV: 36 -0.390570341420E+02 -0.10194E-02 -0.13722E-03 489 0.623E-02 0.582E-01
DAV: 37 -0.390570213230E+02 0.12819E-04 -0.28361E-03 448 0.519E-02 0.485E-01
DAV: 38 -0.390570108310E+02 0.10492E-04 -0.35070E-04 376 0.534E-02 0.248E-01
DAV: 39 -0.390570425924E+02 -0.31761E-04 -0.13379E-04 268 0.160E-02 0.760E-02
DAV: 40 -0.390571578647E+02 -0.11527E-03 -0.91165E-05 228 0.187E-02 0.121E-01
DAV: 41 -0.390571801829E+02 -0.22318E-04 -0.45501E-05 188 0.161E-02 0.421E-02
DAV: 42 -0.390572061123E+02 -0.25929E-04 -0.27550E-05 230 0.771E-03 0.728E-02
DAV: 43 -0.390572228995E+02 -0.16787E-04 -0.78475E-05 244 0.947E-03 0.762E-02
DAV: 44 -0.390572178835E+02 0.50160E-05 -0.21826E-05 223 0.781E-03
1 F= -.39057218E+02 E0= -.38950278E+02 d E =-.320820E+00