./iterations/neb0_image01_iter287_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 0.362995016119E+03 0.36300E+03 -0.14330E+04 632 0.799E+02
DAV: 2 0.305996848687E+01 -0.35994E+03 -0.34765E+03 828 0.195E+02
DAV: 3 -0.956110929185E+02 -0.98671E+02 -0.98331E+02 661 0.115E+02
DAV: 4 -0.100225174814E+03 -0.46141E+01 -0.46015E+01 704 0.287E+01
DAV: 5 -0.100313676567E+03 -0.88502E-01 -0.88460E-01 728 0.361E+00 0.222E+01
DAV: 6 -0.916995254940E+02 0.86142E+01 -0.30936E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908919387380E+02 0.80759E+00 -0.18499E+00 720 0.638E+00 0.484E+00
DAV: 8 -0.905131014828E+02 0.37884E+00 -0.55294E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.904269607907E+02 0.86141E-01 -0.13665E-01 712 0.165E+00 0.428E-01
DAV: 10 -0.904216273515E+02 0.53334E-02 -0.45880E-02 693 0.125E+00 0.318E-01
DAV: 11 -0.904253156439E+02 -0.36883E-02 -0.65354E-03 608 0.488E-01 0.143E-01
DAV: 12 -0.904288554951E+02 -0.35399E-02 -0.74824E-03 623 0.497E-01 0.133E-01
DAV: 13 -0.904315520237E+02 -0.26965E-02 -0.17427E-03 912 0.332E-01 0.764E-02
DAV: 14 -0.904346215423E+02 -0.30695E-02 -0.12817E-03 642 0.168E-01 0.595E-02
DAV: 15 -0.904366699144E+02 -0.20484E-02 -0.37416E-04 680 0.110E-01 0.449E-02
DAV: 16 -0.904382351611E+02 -0.15652E-02 -0.85812E-04 666 0.170E-01 0.376E-02
DAV: 17 -0.904389362042E+02 -0.70104E-03 -0.14325E-04 736 0.860E-02 0.242E-02
DAV: 18 -0.904391789221E+02 -0.24272E-03 -0.89418E-05 661 0.469E-02 0.856E-03
DAV: 19 -0.904393457147E+02 -0.16679E-03 -0.29532E-05 517 0.270E-02 0.548E-03
DAV: 20 -0.904393847365E+02 -0.39022E-04 -0.47702E-06 488 0.128E-02 0.685E-03
DAV: 21 -0.904394307821E+02 -0.46046E-04 -0.91164E-06 404 0.181E-02 0.384E-03
DAV: 22 -0.904394360422E+02 -0.52601E-05 -0.52802E-06 480 0.137E-02
1 F= -.90439436E+02 E0= -.90445456E+02 d E =0.180610E-01