iterations/neb0_image01_iter272_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 0.362262707215E+03 0.36226E+03 -0.14326E+04 632 0.799E+02
DAV: 2 0.391775128245E+01 -0.35834E+03 -0.34510E+03 815 0.195E+02
DAV: 3 -0.955738211591E+02 -0.99492E+02 -0.99146E+02 680 0.116E+02
DAV: 4 -0.100192239625E+03 -0.46184E+01 -0.46061E+01 704 0.282E+01
DAV: 5 -0.100281670067E+03 -0.89430E-01 -0.89389E-01 728 0.353E+00 0.221E+01
DAV: 6 -0.916886323295E+02 0.85930E+01 -0.30957E+01 685 0.299E+01 0.116E+01
DAV: 7 -0.908913246018E+02 0.79731E+00 -0.18399E+00 720 0.639E+00 0.483E+00
DAV: 8 -0.905147169805E+02 0.37661E+00 -0.55164E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.904296398926E+02 0.85077E-01 -0.13570E-01 720 0.164E+00 0.426E-01
DAV: 10 -0.904246215464E+02 0.50183E-02 -0.45099E-02 693 0.124E+00 0.315E-01
DAV: 11 -0.904283806177E+02 -0.37591E-02 -0.63962E-03 608 0.483E-01 0.142E-01
DAV: 12 -0.904319827822E+02 -0.36022E-02 -0.73894E-03 620 0.503E-01 0.133E-01
DAV: 13 -0.904345910678E+02 -0.26083E-02 -0.17239E-03 896 0.327E-01 0.756E-02
DAV: 14 -0.904376262379E+02 -0.30352E-02 -0.12897E-03 642 0.170E-01 0.592E-02
DAV: 15 -0.904396178753E+02 -0.19916E-02 -0.37441E-04 680 0.110E-01 0.461E-02
DAV: 16 -0.904411236097E+02 -0.15057E-02 -0.84363E-04 666 0.172E-01 0.360E-02
DAV: 17 -0.904418241066E+02 -0.70050E-03 -0.12962E-04 712 0.813E-02 0.257E-02
DAV: 18 -0.904420847673E+02 -0.26066E-03 -0.10553E-04 661 0.523E-02 0.858E-03
DAV: 19 -0.904422412524E+02 -0.15649E-03 -0.29025E-05 517 0.270E-02 0.630E-03
DAV: 20 -0.904422735044E+02 -0.32252E-04 -0.46159E-06 488 0.139E-02 0.760E-03
DAV: 21 -0.904423140283E+02 -0.40524E-04 -0.82295E-06 401 0.186E-02 0.415E-03
DAV: 22 -0.904423196176E+02 -0.55893E-05 -0.58243E-06 480 0.140E-02
1 F= -.90442320E+02 E0= -.90448141E+02 d E =0.174655E-01