./iterations/neb0_image07_iter102_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 0.377610592083E+03 0.37761E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.341596751464E+01 -0.37419E+03 -0.36224E+03 877 0.196E+02
DAV: 3 -0.963945393305E+02 -0.99811E+02 -0.99476E+02 656 0.117E+02
DAV: 4 -0.100998074917E+03 -0.46035E+01 -0.45927E+01 696 0.290E+01
DAV: 5 -0.101090335574E+03 -0.92261E-01 -0.92223E-01 728 0.370E+00 0.228E+01
DAV: 6 -0.924213608685E+02 0.86690E+01 -0.30693E+01 701 0.303E+01 0.119E+01
DAV: 7 -0.915418812440E+02 0.87948E+00 -0.16875E+00 728 0.614E+00 0.482E+00
DAV: 8 -0.911591098103E+02 0.38277E+00 -0.56001E-01 704 0.403E+00 0.163E+00
DAV: 9 -0.910750212322E+02 0.84089E-01 -0.13215E-01 728 0.155E+00 0.427E-01
DAV: 10 -0.910657312882E+02 0.92899E-02 -0.47390E-02 741 0.112E+00 0.309E-01
DAV: 11 -0.910702213275E+02 -0.44900E-02 -0.11985E-02 608 0.576E-01 0.133E-01
DAV: 12 -0.910735197811E+02 -0.32985E-02 -0.36512E-03 621 0.280E-01 0.147E-01
DAV: 13 -0.910772628723E+02 -0.37431E-02 -0.26555E-03 736 0.321E-01 0.555E-02
DAV: 14 -0.910798341947E+02 -0.25713E-02 -0.63071E-04 637 0.117E-01 0.591E-02
DAV: 15 -0.910823974018E+02 -0.25632E-02 -0.29993E-04 653 0.875E-02 0.354E-02
DAV: 16 -0.910834617618E+02 -0.10644E-02 -0.42640E-04 680 0.103E-01 0.304E-02
DAV: 17 -0.910839468831E+02 -0.48512E-03 -0.11756E-04 645 0.710E-02 0.110E-02
DAV: 18 -0.910841182028E+02 -0.17132E-03 -0.28602E-05 616 0.269E-02 0.766E-03
DAV: 19 -0.910841907237E+02 -0.72521E-04 -0.98850E-06 432 0.199E-02 0.253E-03
DAV: 20 -0.910842427605E+02 -0.52037E-04 -0.84726E-06 428 0.137E-02 0.286E-03
DAV: 21 -0.910842517117E+02 -0.89512E-05 -0.12710E-06 528 0.566E-03
1 F= -.91084252E+02 E0= -.91089234E+02 d E =0.149471E-01