iterations/neb0_image08_iter203_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 0.373738513086E+03 0.37374E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.354318980253E+01 -0.37020E+03 -0.35782E+03 869 0.196E+02
DAV: 3 -0.967690495956E+02 -0.10031E+03 -0.10001E+03 677 0.117E+02
DAV: 4 -0.101257264953E+03 -0.44882E+01 -0.44755E+01 720 0.282E+01
DAV: 5 -0.101344724819E+03 -0.87460E-01 -0.87407E-01 720 0.357E+00 0.227E+01
DAV: 6 -0.926545519642E+02 0.86902E+01 -0.31058E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.917914041298E+02 0.86315E+00 -0.17413E+00 720 0.615E+00 0.479E+00
DAV: 8 -0.914168889345E+02 0.37452E+00 -0.53795E-01 720 0.393E+00 0.162E+00
DAV: 9 -0.913360565725E+02 0.80832E-01 -0.13272E-01 728 0.155E+00 0.419E-01
DAV: 10 -0.913281128897E+02 0.79437E-02 -0.45324E-02 760 0.109E+00 0.303E-01
DAV: 11 -0.913329473428E+02 -0.48345E-02 -0.14092E-02 608 0.621E-01 0.150E-01
DAV: 12 -0.913357559395E+02 -0.28086E-02 -0.28092E-03 633 0.242E-01 0.107E-01
DAV: 13 -0.913393094708E+02 -0.35535E-02 -0.20188E-03 642 0.233E-01 0.474E-02
DAV: 14 -0.913428001440E+02 -0.34907E-02 -0.89767E-04 661 0.189E-01 0.350E-02
DAV: 15 -0.913437896910E+02 -0.98955E-03 -0.21443E-04 704 0.898E-02 0.284E-02
DAV: 16 -0.913447127425E+02 -0.92305E-03 -0.19697E-04 693 0.864E-02 0.122E-02
DAV: 17 -0.913454218907E+02 -0.70915E-03 -0.67117E-05 653 0.381E-02 0.144E-02
DAV: 18 -0.913456534623E+02 -0.23157E-03 -0.27581E-05 600 0.279E-02 0.876E-03
DAV: 19 -0.913457886740E+02 -0.13521E-03 -0.34573E-05 602 0.306E-02 0.646E-03
DAV: 20 -0.913458007623E+02 -0.12088E-04 -0.26165E-06 520 0.137E-02 0.383E-03
DAV: 21 -0.913458143658E+02 -0.13603E-04 -0.49184E-06 415 0.124E-02 0.141E-03
DAV: 22 -0.913458235523E+02 -0.91865E-05 -0.11529E-06 437 0.524E-03
1 F= -.91345824E+02 E0= -.91350904E+02 d E =0.152408E-01