./iterations/neb0_image04_iter86_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 0.370437497436E+03 0.37044E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.437221828004E+01 -0.36607E+03 -0.35331E+03 850 0.195E+02
DAV: 3 -0.954973022582E+02 -0.99870E+02 -0.99555E+02 693 0.116E+02
DAV: 4 -0.997966764623E+02 -0.42994E+01 -0.42891E+01 704 0.274E+01
DAV: 5 -0.998792874817E+02 -0.82611E-01 -0.82574E-01 728 0.343E+00 0.222E+01
DAV: 6 -0.913989151719E+02 0.84804E+01 -0.29906E+01 679 0.295E+01 0.116E+01
DAV: 7 -0.905458856211E+02 0.85303E+00 -0.17406E+00 712 0.628E+00 0.479E+00
DAV: 8 -0.901469747248E+02 0.39891E+00 -0.56357E-01 720 0.425E+00 0.164E+00
DAV: 9 -0.900528466543E+02 0.94128E-01 -0.13277E-01 712 0.173E+00 0.437E-01
DAV: 10 -0.900435064753E+02 0.93402E-02 -0.57463E-02 712 0.134E+00 0.349E-01
DAV: 11 -0.900477532334E+02 -0.42468E-02 -0.13722E-02 621 0.692E-01 0.139E-01
DAV: 12 -0.900497703380E+02 -0.20171E-02 -0.46173E-03 650 0.306E-01 0.137E-01
DAV: 13 -0.900533437267E+02 -0.35734E-02 -0.22968E-03 842 0.367E-01 0.752E-02
DAV: 14 -0.900568399026E+02 -0.34962E-02 -0.12269E-03 653 0.165E-01 0.628E-02
DAV: 15 -0.900594014345E+02 -0.25615E-02 -0.40939E-04 733 0.124E-01 0.376E-02
DAV: 16 -0.900608323336E+02 -0.14309E-02 -0.49575E-04 680 0.119E-01 0.305E-02
DAV: 17 -0.900618317715E+02 -0.99944E-03 -0.19741E-04 812 0.886E-02 0.147E-02
DAV: 18 -0.900621104602E+02 -0.27869E-03 -0.38516E-05 608 0.323E-02 0.807E-03
DAV: 19 -0.900622637253E+02 -0.15327E-03 -0.26875E-05 500 0.237E-02 0.387E-03
DAV: 20 -0.900622951492E+02 -0.31424E-04 -0.25682E-06 509 0.100E-02 0.371E-03
DAV: 21 -0.900623285564E+02 -0.33407E-04 -0.49120E-06 398 0.986E-03 0.220E-03
DAV: 22 -0.900623354140E+02 -0.68576E-05 -0.15014E-06 480 0.708E-03
1 F= -.90062335E+02 E0= -.90066632E+02 d E =0.128894E-01