iterations/neb0_image07_iter280_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 0.375224385800E+03 0.37522E+03 -0.14288E+04 624 0.799E+02
DAV: 2 0.467779031402E+01 -0.37055E+03 -0.35928E+03 866 0.195E+02
DAV: 3 -0.964593096321E+02 -0.10114E+03 -0.10083E+03 664 0.117E+02
DAV: 4 -0.101210834328E+03 -0.47515E+01 -0.47397E+01 704 0.295E+01
DAV: 5 -0.101304265421E+03 -0.93431E-01 -0.93387E-01 728 0.374E+00 0.227E+01
DAV: 6 -0.926344119671E+02 0.86699E+01 -0.30995E+01 720 0.300E+01 0.119E+01
DAV: 7 -0.917629172729E+02 0.87149E+00 -0.17079E+00 728 0.613E+00 0.480E+00
DAV: 8 -0.913849855788E+02 0.37793E+00 -0.54986E-01 736 0.400E+00 0.161E+00
DAV: 9 -0.913024203664E+02 0.82565E-01 -0.12738E-01 736 0.152E+00 0.422E-01
DAV: 10 -0.912931814680E+02 0.92389E-02 -0.43300E-02 725 0.105E+00 0.296E-01
DAV: 11 -0.912980973624E+02 -0.49159E-02 -0.12793E-02 610 0.573E-01 0.151E-01
DAV: 12 -0.913013896418E+02 -0.32923E-02 -0.30547E-03 617 0.238E-01 0.108E-01
DAV: 13 -0.913051943272E+02 -0.38047E-02 -0.20431E-03 662 0.241E-01 0.496E-02
DAV: 14 -0.913085890978E+02 -0.33948E-02 -0.80208E-04 653 0.171E-01 0.298E-02
DAV: 15 -0.913098371986E+02 -0.12481E-02 -0.17306E-04 680 0.753E-02 0.240E-02
DAV: 16 -0.913108382152E+02 -0.10010E-02 -0.22653E-04 693 0.970E-02 0.171E-02
DAV: 17 -0.913113580237E+02 -0.51981E-03 -0.53407E-05 666 0.432E-02 0.136E-02
DAV: 18 -0.913115265713E+02 -0.16855E-03 -0.26240E-05 576 0.274E-02 0.665E-03
DAV: 19 -0.913116995790E+02 -0.17301E-03 -0.19681E-05 484 0.186E-02 0.242E-03
DAV: 20 -0.913117294689E+02 -0.29890E-04 -0.31187E-06 504 0.765E-03 0.203E-03
DAV: 21 -0.913117535621E+02 -0.24093E-04 -0.37513E-06 397 0.999E-03 0.920E-04
DAV: 22 -0.913117539268E+02 -0.36474E-06 -0.64759E-07 536 0.373E-03
1 F= -.91311754E+02 E0= -.91316277E+02 d E =0.135688E-01