iterations/neb0_image01_iter82_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 0.366674956350E+03 0.36667E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.344129358318E+01 -0.36323E+03 -0.34983E+03 839 0.195E+02
DAV: 3 -0.957840922730E+02 -0.99225E+02 -0.98886E+02 688 0.116E+02
DAV: 4 -0.100201268371E+03 -0.44172E+01 -0.44079E+01 693 0.278E+01
DAV: 5 -0.100288545393E+03 -0.87277E-01 -0.87226E-01 736 0.349E+00 0.222E+01
DAV: 6 -0.916800590905E+02 0.86085E+01 -0.31148E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908662554978E+02 0.81380E+00 -0.18144E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904850705026E+02 0.38118E+00 -0.55830E-01 712 0.427E+00 0.168E+00
DAV: 9 -0.904004353041E+02 0.84635E-01 -0.13669E-01 704 0.164E+00 0.429E-01
DAV: 10 -0.903949161455E+02 0.55192E-02 -0.45859E-02 720 0.126E+00 0.317E-01
DAV: 11 -0.903986689595E+02 -0.37528E-02 -0.66465E-03 616 0.472E-01 0.148E-01
DAV: 12 -0.904022221630E+02 -0.35532E-02 -0.71986E-03 613 0.495E-01 0.128E-01
DAV: 13 -0.904050235628E+02 -0.28014E-02 -0.13448E-03 808 0.306E-01 0.780E-02
DAV: 14 -0.904078932237E+02 -0.28697E-02 -0.15617E-03 634 0.189E-01 0.602E-02
DAV: 15 -0.904101104251E+02 -0.22172E-02 -0.43866E-04 720 0.133E-01 0.453E-02
DAV: 16 -0.904113089924E+02 -0.11986E-02 -0.66700E-04 661 0.148E-01 0.346E-02
DAV: 17 -0.904122005319E+02 -0.89154E-03 -0.19271E-04 850 0.951E-02 0.194E-02
DAV: 18 -0.904123632361E+02 -0.16270E-03 -0.37531E-05 704 0.307E-02 0.142E-02
DAV: 19 -0.904126208908E+02 -0.25765E-03 -0.57748E-05 633 0.392E-02 0.434E-03
DAV: 20 -0.904126530267E+02 -0.32136E-04 -0.46373E-06 480 0.123E-02 0.506E-03
DAV: 21 -0.904126953964E+02 -0.42370E-04 -0.47207E-06 406 0.117E-02 0.303E-03
DAV: 22 -0.904127123697E+02 -0.16973E-04 -0.39555E-06 477 0.963E-03 0.190E-03
DAV: 23 -0.904127147628E+02 -0.23931E-05 -0.11739E-06 520 0.616E-03
1 F= -.90412715E+02 E0= -.90417907E+02 d E =0.155777E-01