iterations/neb0_image09_iter139_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 0.374536480073E+03 0.37454E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.241120984934E+01 -0.37213E+03 -0.35989E+03 877 0.196E+02
DAV: 3 -0.969326084470E+02 -0.99344E+02 -0.99008E+02 672 0.116E+02
DAV: 4 -0.101272852394E+03 -0.43402E+01 -0.43311E+01 696 0.280E+01
DAV: 5 -0.101357332864E+03 -0.84480E-01 -0.84440E-01 736 0.356E+00 0.227E+01
DAV: 6 -0.926819223209E+02 0.86754E+01 -0.30925E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.918064761463E+02 0.87545E+00 -0.17191E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914280089437E+02 0.37847E+00 -0.54545E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913464340382E+02 0.81575E-01 -0.13184E-01 712 0.156E+00 0.425E-01
DAV: 10 -0.913379213554E+02 0.85127E-02 -0.46280E-02 773 0.113E+00 0.305E-01
DAV: 11 -0.913422203363E+02 -0.42990E-02 -0.12804E-02 616 0.593E-01 0.137E-01
DAV: 12 -0.913452602039E+02 -0.30399E-02 -0.30279E-03 625 0.242E-01 0.117E-01
DAV: 13 -0.913490855106E+02 -0.38253E-02 -0.16499E-03 720 0.224E-01 0.426E-02
DAV: 14 -0.913522946593E+02 -0.32091E-02 -0.52085E-04 677 0.118E-01 0.359E-02
DAV: 15 -0.913540221732E+02 -0.17275E-02 -0.15144E-04 656 0.700E-02 0.335E-02
DAV: 16 -0.913552293290E+02 -0.12072E-02 -0.34701E-04 663 0.914E-02 0.214E-02
DAV: 17 -0.913554861792E+02 -0.25685E-03 -0.66052E-05 688 0.580E-02 0.109E-02
DAV: 18 -0.913557463926E+02 -0.26021E-03 -0.45252E-05 564 0.282E-02 0.105E-02
DAV: 19 -0.913557892935E+02 -0.42901E-04 -0.57699E-06 504 0.177E-02 0.513E-03
DAV: 20 -0.913558272737E+02 -0.37980E-04 -0.18025E-05 423 0.267E-02 0.537E-03
DAV: 21 -0.913558402201E+02 -0.12946E-04 -0.31058E-06 472 0.109E-02 0.418E-03
DAV: 22 -0.913558472839E+02 -0.70638E-05 -0.36246E-06 409 0.121E-02
1 F= -.91355847E+02 E0= -.91360591E+02 d E =0.142324E-01