./iterations/neb0_image01_iter288_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 0.363149008379E+03 0.36315E+03 -0.14331E+04 632 0.799E+02
DAV: 2 0.308559336790E+01 -0.36006E+03 -0.34777E+03 828 0.195E+02
DAV: 3 -0.955665575523E+02 -0.98652E+02 -0.98312E+02 653 0.115E+02
DAV: 4 -0.100233655268E+03 -0.46671E+01 -0.46545E+01 704 0.291E+01
DAV: 5 -0.100322945972E+03 -0.89291E-01 -0.89248E-01 736 0.367E+00 0.222E+01
DAV: 6 -0.917026092364E+02 0.86203E+01 -0.30922E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908924645321E+02 0.81014E+00 -0.18516E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.905132914022E+02 0.37917E+00 -0.55293E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.904270268722E+02 0.86265E-01 -0.13667E-01 712 0.165E+00 0.428E-01
DAV: 10 -0.904216818177E+02 0.53451E-02 -0.46184E-02 693 0.126E+00 0.319E-01
DAV: 11 -0.904253742748E+02 -0.36925E-02 -0.66251E-03 608 0.492E-01 0.142E-01
DAV: 12 -0.904289092205E+02 -0.35349E-02 -0.75454E-03 623 0.497E-01 0.134E-01
DAV: 13 -0.904315720016E+02 -0.26628E-02 -0.17890E-03 912 0.335E-01 0.765E-02
DAV: 14 -0.904346644091E+02 -0.30924E-02 -0.12912E-03 642 0.168E-01 0.600E-02
DAV: 15 -0.904366960653E+02 -0.20317E-02 -0.36322E-04 680 0.109E-01 0.452E-02
DAV: 16 -0.904382937487E+02 -0.15977E-02 -0.89170E-04 655 0.174E-01 0.386E-02
DAV: 17 -0.904389887219E+02 -0.69497E-03 -0.14950E-04 760 0.884E-02 0.244E-02
DAV: 18 -0.904392255793E+02 -0.23686E-03 -0.87565E-05 661 0.461E-02 0.886E-03
DAV: 19 -0.904393947066E+02 -0.16913E-03 -0.31392E-05 506 0.282E-02 0.549E-03
DAV: 20 -0.904394317835E+02 -0.37077E-04 -0.50573E-06 488 0.132E-02 0.695E-03
DAV: 21 -0.904394770617E+02 -0.45278E-04 -0.88086E-06 409 0.179E-02 0.404E-03
DAV: 22 -0.904394832953E+02 -0.62336E-05 -0.52750E-06 480 0.140E-02
1 F= -.90439483E+02 E0= -.90445378E+02 d E =0.176845E-01