iterations/neb0_image06_iter233_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 0.373038299946E+03 0.37304E+03 -0.14317E+04 632 0.799E+02
DAV: 2 0.423762965775E+01 -0.36880E+03 -0.35643E+03 866 0.194E+02
DAV: 3 -0.953594591601E+02 -0.99597E+02 -0.99227E+02 664 0.116E+02
DAV: 4 -0.100092426793E+03 -0.47330E+01 -0.47178E+01 720 0.287E+01
DAV: 5 -0.100191332472E+03 -0.98906E-01 -0.98853E-01 720 0.370E+00 0.224E+01
DAV: 6 -0.916864757459E+02 0.85049E+01 -0.30002E+01 696 0.301E+01 0.118E+01
DAV: 7 -0.908601162901E+02 0.82636E+00 -0.17298E+00 712 0.631E+00 0.480E+00
DAV: 8 -0.904858588296E+02 0.37426E+00 -0.57480E-01 720 0.424E+00 0.165E+00
DAV: 9 -0.903997940527E+02 0.86065E-01 -0.12760E-01 720 0.161E+00 0.431E-01
DAV: 10 -0.903897634879E+02 0.10031E-01 -0.34799E-02 712 0.916E-01 0.286E-01
DAV: 11 -0.903937442182E+02 -0.39807E-02 -0.95207E-03 602 0.507E-01 0.151E-01
DAV: 12 -0.903961799797E+02 -0.24358E-02 -0.31287E-03 648 0.320E-01 0.844E-02
DAV: 13 -0.903999276272E+02 -0.37476E-02 -0.17245E-03 614 0.193E-01 0.732E-02
DAV: 14 -0.904031489398E+02 -0.32213E-02 -0.10126E-03 658 0.222E-01 0.363E-02
DAV: 15 -0.904051341382E+02 -0.19852E-02 -0.29773E-04 728 0.995E-02 0.357E-02
DAV: 16 -0.904067284488E+02 -0.15943E-02 -0.31873E-04 655 0.105E-01 0.163E-02
DAV: 17 -0.904075217978E+02 -0.79335E-03 -0.10050E-04 685 0.537E-02 0.130E-02
DAV: 18 -0.904077249314E+02 -0.20313E-03 -0.18191E-05 536 0.185E-02 0.765E-03
DAV: 19 -0.904078728435E+02 -0.14791E-03 -0.27482E-05 516 0.249E-02 0.287E-03
DAV: 20 -0.904078900466E+02 -0.17203E-04 -0.24603E-06 504 0.877E-03 0.226E-03
DAV: 21 -0.904079069598E+02 -0.16913E-04 -0.25705E-06 404 0.777E-03 0.631E-04
DAV: 22 -0.904079095023E+02 -0.25425E-05 -0.45844E-07 469 0.328E-03
1 F= -.90407910E+02 E0= -.90412403E+02 d E =0.134803E-01