./iterations/neb0_image07_iter201_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 0.370687699256E+03 0.37069E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.346234181185E+01 -0.36723E+03 -0.35496E+03 869 0.194E+02
DAV: 3 -0.965094416878E+02 -0.99972E+02 -0.99673E+02 685 0.116E+02
DAV: 4 -0.101064200963E+03 -0.45548E+01 -0.45420E+01 712 0.280E+01
DAV: 5 -0.101156165700E+03 -0.91965E-01 -0.91909E-01 736 0.356E+00 0.226E+01
DAV: 6 -0.925653870667E+02 0.85908E+01 -0.30742E+01 725 0.300E+01 0.118E+01
DAV: 7 -0.917216792843E+02 0.84371E+00 -0.17205E+00 712 0.619E+00 0.479E+00
DAV: 8 -0.913496780476E+02 0.37200E+00 -0.53576E-01 720 0.396E+00 0.162E+00
DAV: 9 -0.912681537061E+02 0.81524E-01 -0.12855E-01 728 0.155E+00 0.420E-01
DAV: 10 -0.912594372313E+02 0.87165E-02 -0.41577E-02 720 0.106E+00 0.290E-01
DAV: 11 -0.912638614258E+02 -0.44242E-02 -0.11660E-02 616 0.555E-01 0.143E-01
DAV: 12 -0.912668290953E+02 -0.29677E-02 -0.25412E-03 629 0.257E-01 0.958E-02
DAV: 13 -0.912705837699E+02 -0.37547E-02 -0.15517E-03 642 0.198E-01 0.504E-02
DAV: 14 -0.912739912128E+02 -0.34074E-02 -0.97354E-04 738 0.235E-01 0.486E-02
DAV: 15 -0.912753019678E+02 -0.13108E-02 -0.41499E-04 672 0.119E-01 0.370E-02
DAV: 16 -0.912761526808E+02 -0.85071E-03 -0.19523E-04 752 0.827E-02 0.141E-02
DAV: 17 -0.912770272123E+02 -0.87453E-03 -0.12901E-04 725 0.589E-02 0.160E-02
DAV: 18 -0.912772601263E+02 -0.23291E-03 -0.24457E-05 576 0.371E-02 0.716E-03
DAV: 19 -0.912774121044E+02 -0.15198E-03 -0.37772E-05 615 0.303E-02 0.700E-03
DAV: 20 -0.912774249249E+02 -0.12820E-04 -0.19644E-06 512 0.129E-02 0.396E-03
DAV: 21 -0.912774489779E+02 -0.24053E-04 -0.52180E-06 412 0.134E-02 0.126E-03
DAV: 22 -0.912774626631E+02 -0.13685E-04 -0.17319E-06 434 0.573E-03 0.146E-03
DAV: 23 -0.912774657419E+02 -0.30788E-05 -0.39691E-07 498 0.252E-03
1 F= -.91277466E+02 E0= -.91281943E+02 d E =0.134305E-01