iterations/neb0_image01_iter133_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 0.366176530264E+03 0.36618E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.332844994611E+01 -0.36285E+03 -0.34968E+03 839 0.195E+02
DAV: 3 -0.957031981871E+02 -0.99032E+02 -0.98689E+02 674 0.116E+02
DAV: 4 -0.100215820875E+03 -0.45126E+01 -0.45025E+01 704 0.282E+01
DAV: 5 -0.100305767884E+03 -0.89947E-01 -0.89900E-01 744 0.354E+00 0.222E+01
DAV: 6 -0.916819146604E+02 0.86239E+01 -0.31131E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908767100938E+02 0.80520E+00 -0.18273E+00 720 0.638E+00 0.484E+00
DAV: 8 -0.904985406596E+02 0.37817E+00 -0.55569E-01 712 0.428E+00 0.167E+00
DAV: 9 -0.904150350762E+02 0.83506E-01 -0.13566E-01 712 0.164E+00 0.425E-01
DAV: 10 -0.904100391266E+02 0.49959E-02 -0.45369E-02 712 0.123E+00 0.315E-01
DAV: 11 -0.904139860177E+02 -0.39469E-02 -0.66296E-03 608 0.489E-01 0.136E-01
DAV: 12 -0.904175929411E+02 -0.36069E-02 -0.69203E-03 629 0.483E-01 0.130E-01
DAV: 13 -0.904201691140E+02 -0.25762E-02 -0.15148E-03 848 0.312E-01 0.741E-02
DAV: 14 -0.904231393134E+02 -0.29702E-02 -0.13554E-03 642 0.175E-01 0.590E-02
DAV: 15 -0.904251124054E+02 -0.19731E-02 -0.37272E-04 672 0.115E-01 0.471E-02
DAV: 16 -0.904264790933E+02 -0.13667E-02 -0.80792E-04 661 0.169E-01 0.351E-02
DAV: 17 -0.904272491773E+02 -0.77008E-03 -0.14511E-04 733 0.866E-02 0.243E-02
DAV: 18 -0.904274675510E+02 -0.21837E-03 -0.68223E-05 672 0.407E-02 0.117E-02
DAV: 19 -0.904276640487E+02 -0.19650E-03 -0.51702E-05 633 0.357E-02 0.677E-03
DAV: 20 -0.904276826592E+02 -0.18610E-04 -0.40559E-06 520 0.147E-02 0.676E-03
DAV: 21 -0.904277216862E+02 -0.39027E-04 -0.68310E-06 398 0.149E-02 0.505E-03
DAV: 22 -0.904277353852E+02 -0.13699E-04 -0.40885E-06 477 0.142E-02 0.245E-03
DAV: 23 -0.904277372636E+02 -0.18784E-05 -0.32085E-06 528 0.104E-02
1 F= -.90427737E+02 E0= -.90433060E+02 d E =0.159693E-01