iterations/neb0_image04_iter1_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 0.370833607280E+03 0.37083E+03 -0.14263E+04 624 0.799E+02
DAV: 2 0.954470513166E+01 -0.36129E+03 -0.34872E+03 837 0.194E+02
DAV: 3 -0.909642949998E+02 -0.10051E+03 -0.99841E+02 712 0.117E+02
DAV: 4 -0.954478608077E+02 -0.44836E+01 -0.44687E+01 704 0.272E+01
DAV: 5 -0.955370000842E+02 -0.89139E-01 -0.89110E-01 736 0.339E+00 0.235E+01
DAV: 6 -0.860214872010E+02 0.95155E+01 -0.32551E+01 685 0.312E+01 0.123E+01
DAV: 7 -0.850919816831E+02 0.92951E+00 -0.20371E+00 712 0.780E+00 0.518E+00
DAV: 8 -0.846755179866E+02 0.41646E+00 -0.83591E-01 712 0.513E+00 0.169E+00
DAV: 9 -0.846075306972E+02 0.67987E-01 -0.20187E-01 728 0.226E+00 0.813E-01
DAV: 10 -0.846003386250E+02 0.71921E-02 -0.18199E-02 704 0.948E-01 0.492E-01
DAV: 11 -0.845942055183E+02 0.61331E-02 -0.36902E-02 696 0.972E-01 0.324E-01
DAV: 12 -0.845945984123E+02 -0.39289E-03 -0.42745E-03 656 0.470E-01 0.188E-01
DAV: 13 -0.845987269587E+02 -0.41285E-02 -0.10599E-02 611 0.625E-01 0.167E-01
DAV: 14 -0.846013696074E+02 -0.26426E-02 -0.18119E-03 693 0.278E-01 0.863E-02
DAV: 15 -0.846046666447E+02 -0.32970E-02 -0.28192E-03 624 0.273E-01 0.801E-02
DAV: 16 -0.846064292076E+02 -0.17626E-02 -0.51761E-04 733 0.161E-01 0.336E-02
DAV: 17 -0.846076433146E+02 -0.12141E-02 -0.33552E-04 664 0.921E-02 0.230E-02
DAV: 18 -0.846085909866E+02 -0.94767E-03 -0.84692E-05 652 0.474E-02 0.114E-02
DAV: 19 -0.846089233074E+02 -0.33232E-03 -0.32127E-05 621 0.303E-02 0.555E-03
DAV: 20 -0.846092016352E+02 -0.27833E-03 -0.26168E-05 475 0.202E-02 0.348E-03
DAV: 21 -0.846092600987E+02 -0.58464E-04 -0.39899E-06 496 0.855E-03 0.268E-03
DAV: 22 -0.846093069220E+02 -0.46823E-04 -0.82157E-06 399 0.127E-02 0.272E-03
DAV: 23 -0.846093119627E+02 -0.50407E-05 -0.13016E-06 504 0.683E-03
1 F= -.84609312E+02 E0= -.84617154E+02 d E =0.235275E-01