iterations/neb0_image01_iter85_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 0.366503663546E+03 0.36650E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.343340999006E+01 -0.36307E+03 -0.34969E+03 839 0.195E+02
DAV: 3 -0.957600751478E+02 -0.99193E+02 -0.98854E+02 688 0.116E+02
DAV: 4 -0.100181547365E+03 -0.44215E+01 -0.44123E+01 685 0.279E+01
DAV: 5 -0.100269384188E+03 -0.87837E-01 -0.87784E-01 736 0.350E+00 0.222E+01
DAV: 6 -0.916766767120E+02 0.85927E+01 -0.31085E+01 693 0.298E+01 0.117E+01
DAV: 7 -0.908611607429E+02 0.81552E+00 -0.18121E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.904798724381E+02 0.38129E+00 -0.56310E-01 712 0.429E+00 0.167E+00
DAV: 9 -0.903958169760E+02 0.84055E-01 -0.13631E-01 704 0.164E+00 0.430E-01
DAV: 10 -0.903902977589E+02 0.55192E-02 -0.44713E-02 728 0.125E+00 0.314E-01
DAV: 11 -0.903940397226E+02 -0.37420E-02 -0.64304E-03 616 0.460E-01 0.150E-01
DAV: 12 -0.903975523299E+02 -0.35126E-02 -0.69334E-03 613 0.493E-01 0.124E-01
DAV: 13 -0.904004211390E+02 -0.28688E-02 -0.12074E-03 784 0.292E-01 0.784E-02
DAV: 14 -0.904032975130E+02 -0.28764E-02 -0.16378E-03 642 0.194E-01 0.589E-02
DAV: 15 -0.904054886868E+02 -0.21912E-02 -0.42512E-04 768 0.138E-01 0.411E-02
DAV: 16 -0.904066649093E+02 -0.11762E-02 -0.54938E-04 653 0.132E-01 0.335E-02
DAV: 17 -0.904075781449E+02 -0.91324E-03 -0.17799E-04 772 0.901E-02 0.190E-02
DAV: 18 -0.904077764144E+02 -0.19827E-03 -0.48182E-05 688 0.339E-02 0.134E-02
DAV: 19 -0.904080056224E+02 -0.22921E-03 -0.53240E-05 633 0.374E-02 0.577E-03
DAV: 20 -0.904080423476E+02 -0.36725E-04 -0.34547E-06 488 0.124E-02 0.479E-03
DAV: 21 -0.904080880685E+02 -0.45721E-04 -0.90034E-06 403 0.167E-02 0.145E-03
DAV: 22 -0.904080988006E+02 -0.10732E-04 -0.23439E-06 477 0.717E-03 0.164E-03
DAV: 23 -0.904081015775E+02 -0.27769E-05 -0.52140E-07 488 0.329E-03
1 F= -.90408102E+02 E0= -.90413193E+02 d E =0.152735E-01