iterations/neb0_image01_iter119_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 0.366359812871E+03 0.36636E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.335940218569E+01 -0.36300E+03 -0.34975E+03 839 0.195E+02
DAV: 3 -0.956956189780E+02 -0.99055E+02 -0.98711E+02 677 0.116E+02
DAV: 4 -0.100206482615E+03 -0.45109E+01 -0.45011E+01 693 0.282E+01
DAV: 5 -0.100296654510E+03 -0.90172E-01 -0.90120E-01 744 0.355E+00 0.222E+01
DAV: 6 -0.916840887635E+02 0.86126E+01 -0.31063E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908729093915E+02 0.81118E+00 -0.18201E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.904938531508E+02 0.37906E+00 -0.55980E-01 712 0.430E+00 0.167E+00
DAV: 9 -0.904105929359E+02 0.83260E-01 -0.13512E-01 712 0.164E+00 0.427E-01
DAV: 10 -0.904055050121E+02 0.50879E-02 -0.45227E-02 712 0.124E+00 0.315E-01
DAV: 11 -0.904093788383E+02 -0.38738E-02 -0.65526E-03 608 0.481E-01 0.140E-01
DAV: 12 -0.904129707200E+02 -0.35919E-02 -0.70465E-03 626 0.490E-01 0.129E-01
DAV: 13 -0.904156151251E+02 -0.26444E-02 -0.15248E-03 848 0.314E-01 0.746E-02
DAV: 14 -0.904185554722E+02 -0.29403E-02 -0.13456E-03 642 0.173E-01 0.580E-02
DAV: 15 -0.904205693817E+02 -0.20139E-02 -0.37012E-04 680 0.115E-01 0.453E-02
DAV: 16 -0.904219589453E+02 -0.13896E-02 -0.78128E-04 661 0.165E-01 0.357E-02
DAV: 17 -0.904227202816E+02 -0.76134E-03 -0.15211E-04 741 0.899E-02 0.226E-02
DAV: 18 -0.904229201575E+02 -0.19988E-03 -0.63106E-05 672 0.387E-02 0.116E-02
DAV: 19 -0.904231224130E+02 -0.20226E-03 -0.49488E-05 633 0.346E-02 0.594E-03
DAV: 20 -0.904231461566E+02 -0.23744E-04 -0.39054E-06 488 0.143E-02 0.617E-03
DAV: 21 -0.904231827384E+02 -0.36582E-04 -0.65548E-06 398 0.147E-02 0.499E-03
DAV: 22 -0.904231982889E+02 -0.15550E-04 -0.36841E-06 477 0.137E-02 0.250E-03
DAV: 23 -0.904232002639E+02 -0.19751E-05 -0.39390E-06 536 0.113E-02
1 F= -.90423200E+02 E0= -.90428497E+02 d E =0.158893E-01