iterations/neb0_image03_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 0.366810126602E+03 0.36681E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.225134470125E+01 -0.36456E+03 -0.35326E+03 861 0.195E+02
DAV: 3 -0.956511062595E+02 -0.97902E+02 -0.97594E+02 653 0.116E+02
DAV: 4 -0.100192497793E+03 -0.45414E+01 -0.45318E+01 712 0.289E+01
DAV: 5 -0.100283045476E+03 -0.90548E-01 -0.90512E-01 736 0.364E+00 0.222E+01
DAV: 6 -0.916841023914E+02 0.85989E+01 -0.30656E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.908386067601E+02 0.84550E+00 -0.18272E+00 704 0.640E+00 0.483E+00
DAV: 8 -0.904349951878E+02 0.40361E+00 -0.56529E-01 704 0.432E+00 0.166E+00
DAV: 9 -0.903398636352E+02 0.95132E-01 -0.13012E-01 688 0.185E+00 0.454E-01
DAV: 10 -0.903314406851E+02 0.84230E-02 -0.39095E-02 720 0.101E+00 0.335E-01
DAV: 11 -0.903341637671E+02 -0.27231E-02 -0.77817E-03 733 0.630E-01 0.142E-01
DAV: 12 -0.903361683369E+02 -0.20046E-02 -0.35752E-03 626 0.340E-01 0.115E-01
DAV: 13 -0.903410485887E+02 -0.48803E-02 -0.33563E-03 656 0.340E-01 0.859E-02
DAV: 14 -0.903452541773E+02 -0.42056E-02 -0.93237E-04 658 0.179E-01 0.473E-02
DAV: 15 -0.903472130121E+02 -0.19588E-02 -0.47067E-04 736 0.119E-01 0.257E-02
DAV: 16 -0.903487132891E+02 -0.15003E-02 -0.12817E-04 661 0.667E-02 0.115E-02
DAV: 17 -0.903497372581E+02 -0.10240E-02 -0.11964E-04 632 0.409E-02 0.755E-03
DAV: 18 -0.903500292785E+02 -0.29202E-03 -0.31281E-05 600 0.245E-02 0.431E-03
DAV: 19 -0.903501302125E+02 -0.10093E-03 -0.85767E-06 442 0.125E-02 0.284E-03
DAV: 20 -0.903501671804E+02 -0.36968E-04 -0.54121E-06 464 0.851E-03 0.170E-03
DAV: 21 -0.903501750895E+02 -0.79091E-05 -0.15113E-06 512 0.627E-03
1 F= -.90350175E+02 E0= -.90358712E+02 d E =0.256116E-01