./iterations/neb0_image03_iter239_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 0.362357169441E+03 0.36236E+03 -0.14318E+04 632 0.799E+02
DAV: 2 -0.464807865091E+00 -0.36282E+03 -0.35355E+03 858 0.195E+02
DAV: 3 -0.959768455201E+02 -0.95512E+02 -0.95205E+02 664 0.115E+02
DAV: 4 -0.100228374359E+03 -0.42515E+01 -0.42407E+01 720 0.277E+01
DAV: 5 -0.100311907707E+03 -0.83533E-01 -0.83505E-01 720 0.349E+00 0.222E+01
DAV: 6 -0.917019799287E+02 0.86099E+01 -0.31122E+01 677 0.299E+01 0.117E+01
DAV: 7 -0.908670166249E+02 0.83496E+00 -0.17741E+00 720 0.634E+00 0.484E+00
DAV: 8 -0.904764078112E+02 0.39061E+00 -0.56352E-01 704 0.430E+00 0.169E+00
DAV: 9 -0.903856369622E+02 0.90771E-01 -0.12919E-01 720 0.168E+00 0.437E-01
DAV: 10 -0.903789725814E+02 0.66644E-02 -0.39319E-02 701 0.104E+00 0.317E-01
DAV: 11 -0.903832407421E+02 -0.42682E-02 -0.64389E-03 640 0.537E-01 0.122E-01
DAV: 12 -0.903860237691E+02 -0.27830E-02 -0.27829E-03 632 0.295E-01 0.983E-02
DAV: 13 -0.903910426689E+02 -0.50189E-02 -0.19946E-03 618 0.213E-01 0.879E-02
DAV: 14 -0.903945607027E+02 -0.35180E-02 -0.15998E-03 669 0.198E-01 0.432E-02
DAV: 15 -0.903960139310E+02 -0.14532E-02 -0.20121E-04 696 0.737E-02 0.274E-02
DAV: 16 -0.903976588513E+02 -0.16449E-02 -0.31283E-04 649 0.888E-02 0.161E-02
DAV: 17 -0.903981481372E+02 -0.48929E-03 -0.49486E-05 688 0.385E-02 0.130E-02
DAV: 18 -0.903984926590E+02 -0.34452E-03 -0.60482E-05 639 0.406E-02 0.662E-03
DAV: 19 -0.903985966168E+02 -0.10396E-03 -0.99348E-06 488 0.168E-02 0.481E-03
DAV: 20 -0.903986568203E+02 -0.60204E-04 -0.12525E-05 466 0.188E-02 0.262E-03
DAV: 21 -0.903986777510E+02 -0.20931E-04 -0.38562E-06 488 0.928E-03 0.234E-03
DAV: 22 -0.903986818485E+02 -0.40975E-05 -0.80612E-07 520 0.485E-03
1 F= -.90398682E+02 E0= -.90407060E+02 d E =0.251335E-01