./iterations/neb0_image07_iter282_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.375408859888E+03 0.37541E+03 -0.14287E+04 624 0.799E+02
DAV: 2 0.458620811886E+01 -0.37082E+03 -0.35951E+03 869 0.195E+02
DAV: 3 -0.963644899335E+02 -0.10095E+03 -0.10064E+03 656 0.117E+02
DAV: 4 -0.101213482239E+03 -0.48490E+01 -0.48375E+01 712 0.298E+01
DAV: 5 -0.101310050485E+03 -0.96568E-01 -0.96524E-01 728 0.378E+00 0.228E+01
DAV: 6 -0.926313335872E+02 0.86787E+01 -0.30973E+01 720 0.300E+01 0.119E+01
DAV: 7 -0.917579948303E+02 0.87334E+00 -0.17084E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.913795368585E+02 0.37846E+00 -0.54986E-01 736 0.399E+00 0.161E+00
DAV: 9 -0.912963325828E+02 0.83204E-01 -0.12684E-01 736 0.151E+00 0.422E-01
DAV: 10 -0.912867404303E+02 0.95922E-02 -0.43306E-02 741 0.105E+00 0.296E-01
DAV: 11 -0.912916885438E+02 -0.49481E-02 -0.12690E-02 613 0.573E-01 0.152E-01
DAV: 12 -0.912948573457E+02 -0.31688E-02 -0.29986E-03 620 0.233E-01 0.105E-01
DAV: 13 -0.912987985557E+02 -0.39412E-02 -0.20803E-03 649 0.238E-01 0.514E-02
DAV: 14 -0.913024210394E+02 -0.36225E-02 -0.93527E-04 645 0.187E-01 0.325E-02
DAV: 15 -0.913035875309E+02 -0.11665E-02 -0.18427E-04 688 0.776E-02 0.244E-02
DAV: 16 -0.913043525179E+02 -0.76499E-03 -0.16024E-04 698 0.828E-02 0.114E-02
DAV: 17 -0.913050467864E+02 -0.69427E-03 -0.66869E-05 647 0.356E-02 0.131E-02
DAV: 18 -0.913052289103E+02 -0.18212E-03 -0.12249E-05 480 0.171E-02 0.819E-03
DAV: 19 -0.913053841974E+02 -0.15529E-03 -0.40396E-05 545 0.335E-02 0.470E-03
DAV: 20 -0.913053966925E+02 -0.12495E-04 -0.33560E-06 528 0.126E-02 0.365E-03
DAV: 21 -0.913054132092E+02 -0.16517E-04 -0.46264E-06 403 0.132E-02 0.123E-03
DAV: 22 -0.913054193472E+02 -0.61380E-05 -0.10348E-06 442 0.542E-03
1 F= -.91305419E+02 E0= -.91309889E+02 d E =0.134084E-01