iterations/neb0_image02_iter44_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 0.368408616991E+03 0.36841E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.429061308363E+01 -0.36412E+03 -0.34930E+03 842 0.195E+02
DAV: 3 -0.955581059298E+02 -0.99849E+02 -0.99512E+02 672 0.116E+02
DAV: 4 -0.100144079739E+03 -0.45860E+01 -0.45757E+01 704 0.285E+01
DAV: 5 -0.100233292364E+03 -0.89213E-01 -0.89172E-01 736 0.358E+00 0.223E+01
DAV: 6 -0.916270334011E+02 0.86063E+01 -0.30724E+01 688 0.298E+01 0.117E+01
DAV: 7 -0.907907040963E+02 0.83633E+00 -0.18218E+00 704 0.636E+00 0.483E+00
DAV: 8 -0.904024406612E+02 0.38826E+00 -0.56267E-01 688 0.428E+00 0.169E+00
DAV: 9 -0.903127180229E+02 0.89723E-01 -0.14228E-01 696 0.168E+00 0.438E-01
DAV: 10 -0.903061522327E+02 0.65658E-02 -0.42070E-02 717 0.125E+00 0.311E-01
DAV: 11 -0.903096751950E+02 -0.35230E-02 -0.67260E-03 621 0.455E-01 0.159E-01
DAV: 12 -0.903128442552E+02 -0.31691E-02 -0.62687E-03 613 0.464E-01 0.118E-01
DAV: 13 -0.903160719015E+02 -0.32276E-02 -0.93566E-04 741 0.270E-01 0.794E-02
DAV: 14 -0.903191553958E+02 -0.30835E-02 -0.16666E-03 648 0.195E-01 0.565E-02
DAV: 15 -0.903216964797E+02 -0.25411E-02 -0.60299E-04 821 0.177E-01 0.335E-02
DAV: 16 -0.903227431339E+02 -0.10467E-02 -0.26470E-04 672 0.845E-02 0.296E-02
DAV: 17 -0.903237277247E+02 -0.98459E-03 -0.13891E-04 647 0.597E-02 0.204E-02
DAV: 18 -0.903239807859E+02 -0.25306E-03 -0.99950E-05 680 0.607E-02 0.103E-02
DAV: 19 -0.903241837640E+02 -0.20298E-03 -0.21982E-05 503 0.251E-02 0.768E-03
DAV: 20 -0.903242449402E+02 -0.61176E-04 -0.10626E-05 464 0.160E-02 0.457E-03
DAV: 21 -0.903242785098E+02 -0.33570E-04 -0.37867E-06 444 0.953E-03 0.340E-03
DAV: 22 -0.903242944425E+02 -0.15933E-04 -0.33258E-06 450 0.897E-03 0.174E-03
DAV: 23 -0.903242969214E+02 -0.24789E-05 -0.14713E-06 488 0.733E-03
1 F= -.90324297E+02 E0= -.90330906E+02 d E =0.198272E-01