iterations/neb0_image01_iter31_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 0.366003074154E+03 0.36600E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.302613166554E+01 -0.36298E+03 -0.34966E+03 847 0.195E+02
DAV: 3 -0.956531505798E+02 -0.98679E+02 -0.98333E+02 680 0.116E+02
DAV: 4 -0.100149209206E+03 -0.44961E+01 -0.44860E+01 688 0.281E+01
DAV: 5 -0.100239215983E+03 -0.90007E-01 -0.89956E-01 736 0.354E+00 0.222E+01
DAV: 6 -0.916371532100E+02 0.86021E+01 -0.31061E+01 701 0.298E+01 0.117E+01
DAV: 7 -0.908238874020E+02 0.81327E+00 -0.18171E+00 712 0.636E+00 0.483E+00
DAV: 8 -0.904422742186E+02 0.38161E+00 -0.56680E-01 704 0.433E+00 0.167E+00
DAV: 9 -0.903571039711E+02 0.85170E-01 -0.13746E-01 712 0.165E+00 0.432E-01
DAV: 10 -0.903512725144E+02 0.58315E-02 -0.43836E-02 720 0.125E+00 0.313E-01
DAV: 11 -0.903549757604E+02 -0.37032E-02 -0.63881E-03 605 0.459E-01 0.154E-01
DAV: 12 -0.903584141064E+02 -0.34383E-02 -0.69560E-03 618 0.498E-01 0.125E-01
DAV: 13 -0.903612471595E+02 -0.28331E-02 -0.12102E-03 784 0.293E-01 0.767E-02
DAV: 14 -0.903641766494E+02 -0.29295E-02 -0.16271E-03 637 0.191E-01 0.582E-02
DAV: 15 -0.903663797361E+02 -0.22031E-02 -0.38813E-04 752 0.132E-01 0.392E-02
DAV: 16 -0.903675921609E+02 -0.12124E-02 -0.52732E-04 672 0.129E-01 0.329E-02
DAV: 17 -0.903684863793E+02 -0.89422E-03 -0.15421E-04 743 0.838E-02 0.193E-02
DAV: 18 -0.903686995257E+02 -0.21315E-03 -0.46506E-05 688 0.339E-02 0.122E-02
DAV: 19 -0.903689331637E+02 -0.23364E-03 -0.51678E-05 633 0.362E-02 0.593E-03
DAV: 20 -0.903689709637E+02 -0.37800E-04 -0.32983E-06 488 0.119E-02 0.498E-03
DAV: 21 -0.903690154265E+02 -0.44463E-04 -0.79523E-06 405 0.151E-02 0.153E-03
DAV: 22 -0.903690262936E+02 -0.10867E-04 -0.23524E-06 480 0.742E-03 0.149E-03
DAV: 23 -0.903690299571E+02 -0.36635E-05 -0.81351E-07 440 0.427E-03
1 F= -.90369030E+02 E0= -.90374817E+02 d E =0.173617E-01