iterations/neb0_image06_iter115_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 0.376193344869E+03 0.37619E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.369371508842E+01 -0.37250E+03 -0.36057E+03 885 0.195E+02
DAV: 3 -0.955694101715E+02 -0.99263E+02 -0.98935E+02 640 0.117E+02
DAV: 4 -0.100324662122E+03 -0.47553E+01 -0.47438E+01 696 0.297E+01
DAV: 5 -0.100422411014E+03 -0.97749E-01 -0.97698E-01 728 0.381E+00 0.227E+01
DAV: 6 -0.918095488171E+02 0.86129E+01 -0.30682E+01 692 0.305E+01 0.118E+01
DAV: 7 -0.909799215511E+02 0.82963E+00 -0.17389E+00 728 0.630E+00 0.480E+00
DAV: 8 -0.906017777164E+02 0.37814E+00 -0.49769E-01 720 0.396E+00 0.168E+00
DAV: 9 -0.905108636692E+02 0.90914E-01 -0.13905E-01 720 0.169E+00 0.420E-01
DAV: 10 -0.905015931174E+02 0.92706E-02 -0.36504E-02 800 0.105E+00 0.289E-01
DAV: 11 -0.905053202503E+02 -0.37271E-02 -0.10402E-02 605 0.620E-01 0.152E-01
DAV: 12 -0.905070676033E+02 -0.17474E-02 -0.18084E-03 674 0.327E-01 0.968E-02
DAV: 13 -0.905112382353E+02 -0.41706E-02 -0.26470E-03 625 0.270E-01 0.989E-02
DAV: 14 -0.905132938273E+02 -0.20556E-02 -0.52171E-04 696 0.129E-01 0.560E-02
DAV: 15 -0.905167825049E+02 -0.34887E-02 -0.12883E-03 634 0.199E-01 0.482E-02
DAV: 16 -0.905180962879E+02 -0.13138E-02 -0.18321E-04 685 0.846E-02 0.282E-02
DAV: 17 -0.905191297739E+02 -0.10335E-02 -0.24167E-04 658 0.930E-02 0.157E-02
DAV: 18 -0.905195519528E+02 -0.42218E-03 -0.37600E-05 685 0.392E-02 0.126E-02
DAV: 19 -0.905198168262E+02 -0.26487E-03 -0.47912E-05 613 0.392E-02 0.914E-03
DAV: 20 -0.905199130065E+02 -0.96180E-04 -0.13107E-05 496 0.240E-02 0.365E-03
DAV: 21 -0.905199569560E+02 -0.43950E-04 -0.81532E-06 415 0.148E-02 0.186E-03
DAV: 22 -0.905199788388E+02 -0.21883E-04 -0.28295E-06 445 0.701E-03 0.210E-03
DAV: 23 -0.905199872890E+02 -0.84502E-05 -0.10238E-06 454 0.540E-03
1 F= -.90519987E+02 E0= -.90529707E+02 d E =0.291578E-01