iterations/neb0_image08_iter187_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 0.374367502271E+03 0.37437E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.359157639348E+01 -0.37078E+03 -0.35853E+03 863 0.196E+02
DAV: 3 -0.966765015061E+02 -0.10027E+03 -0.99964E+02 669 0.117E+02
DAV: 4 -0.101271686095E+03 -0.45952E+01 -0.45829E+01 728 0.287E+01
DAV: 5 -0.101361934736E+03 -0.90249E-01 -0.90194E-01 712 0.363E+00 0.228E+01
DAV: 6 -0.926646923608E+02 0.86972E+01 -0.30925E+01 712 0.301E+01 0.119E+01
DAV: 7 -0.917905390067E+02 0.87415E+00 -0.17276E+00 720 0.614E+00 0.480E+00
DAV: 8 -0.914148633692E+02 0.37568E+00 -0.54488E-01 712 0.396E+00 0.162E+00
DAV: 9 -0.913348948784E+02 0.79968E-01 -0.13098E-01 728 0.155E+00 0.420E-01
DAV: 10 -0.913268373465E+02 0.80575E-02 -0.44215E-02 744 0.109E+00 0.301E-01
DAV: 11 -0.913315775568E+02 -0.47402E-02 -0.13056E-02 605 0.594E-01 0.143E-01
DAV: 12 -0.913345689756E+02 -0.29914E-02 -0.27595E-03 630 0.245E-01 0.102E-01
DAV: 13 -0.913379825950E+02 -0.34136E-02 -0.15672E-03 639 0.204E-01 0.450E-02
DAV: 14 -0.913416747091E+02 -0.36921E-02 -0.10176E-03 671 0.212E-01 0.427E-02
DAV: 15 -0.913424274911E+02 -0.75278E-03 -0.22691E-04 712 0.992E-02 0.333E-02
DAV: 16 -0.913432905177E+02 -0.86303E-03 -0.20703E-04 701 0.859E-02 0.121E-02
DAV: 17 -0.913441579639E+02 -0.86745E-03 -0.88389E-05 656 0.423E-02 0.129E-02
DAV: 18 -0.913444347080E+02 -0.27674E-03 -0.28138E-05 616 0.216E-02 0.984E-03
DAV: 19 -0.913445593422E+02 -0.12463E-03 -0.29531E-05 576 0.317E-02 0.456E-03
DAV: 20 -0.913445782975E+02 -0.18955E-04 -0.38248E-06 512 0.127E-02 0.355E-03
DAV: 21 -0.913445917393E+02 -0.13442E-04 -0.28031E-06 410 0.892E-03 0.126E-03
DAV: 22 -0.913445999272E+02 -0.81879E-05 -0.11387E-06 445 0.450E-03
1 F= -.91344600E+02 E0= -.91349703E+02 d E =0.153081E-01