iterations/neb0_image08_iter97_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 0.375308405313E+03 0.37531E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.351907301733E+01 -0.37179E+03 -0.35864E+03 869 0.196E+02
DAV: 3 -0.967346252511E+02 -0.10025E+03 -0.99912E+02 688 0.117E+02
DAV: 4 -0.101121064168E+03 -0.43864E+01 -0.43762E+01 696 0.275E+01
DAV: 5 -0.101208247032E+03 -0.87183E-01 -0.87145E-01 736 0.347E+00 0.226E+01
DAV: 6 -0.925977312570E+02 0.86105E+01 -0.30770E+01 693 0.301E+01 0.119E+01
DAV: 7 -0.917305189321E+02 0.86721E+00 -0.16820E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.913506225488E+02 0.37990E+00 -0.56126E-01 704 0.403E+00 0.162E+00
DAV: 9 -0.912685851910E+02 0.82037E-01 -0.12940E-01 712 0.156E+00 0.426E-01
DAV: 10 -0.912593441446E+02 0.92410E-02 -0.46434E-02 728 0.112E+00 0.306E-01
DAV: 11 -0.912640045804E+02 -0.46604E-02 -0.13694E-02 616 0.604E-01 0.156E-01
DAV: 12 -0.912668591308E+02 -0.28546E-02 -0.29647E-03 615 0.250E-01 0.119E-01
DAV: 13 -0.912704424873E+02 -0.35834E-02 -0.15334E-03 685 0.221E-01 0.464E-02
DAV: 14 -0.912735971312E+02 -0.31546E-02 -0.66161E-04 656 0.142E-01 0.363E-02
DAV: 15 -0.912754152051E+02 -0.18181E-02 -0.18742E-04 672 0.777E-02 0.404E-02
DAV: 16 -0.912766992998E+02 -0.12841E-02 -0.35583E-04 669 0.954E-02 0.173E-02
DAV: 17 -0.912771127160E+02 -0.41342E-03 -0.60780E-05 664 0.534E-02 0.147E-02
DAV: 18 -0.912773678993E+02 -0.25518E-03 -0.45240E-05 575 0.327E-02 0.122E-02
DAV: 19 -0.912774527822E+02 -0.84883E-04 -0.11117E-05 456 0.205E-02 0.567E-03
DAV: 20 -0.912774838387E+02 -0.31057E-04 -0.11140E-05 488 0.211E-02 0.211E-03
DAV: 21 -0.912775109665E+02 -0.27128E-04 -0.45873E-06 404 0.984E-03 0.309E-03
DAV: 22 -0.912775151608E+02 -0.41942E-05 -0.72517E-07 496 0.480E-03
1 F= -.91277515E+02 E0= -.91282437E+02 d E =0.147652E-01