iterations/neb0_image08_iter83_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 0.375901533900E+03 0.37590E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.372512447846E+01 -0.37218E+03 -0.35878E+03 869 0.196E+02
DAV: 3 -0.967150880182E+02 -0.10044E+03 -0.10010E+03 688 0.117E+02
DAV: 4 -0.101112005870E+03 -0.43969E+01 -0.43868E+01 688 0.276E+01
DAV: 5 -0.101199436517E+03 -0.87431E-01 -0.87392E-01 728 0.347E+00 0.227E+01
DAV: 6 -0.925820990717E+02 0.86173E+01 -0.30775E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.917161145691E+02 0.86598E+00 -0.16865E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.913363116569E+02 0.37980E+00 -0.55786E-01 704 0.402E+00 0.162E+00
DAV: 9 -0.912530283633E+02 0.83283E-01 -0.12989E-01 712 0.155E+00 0.426E-01
DAV: 10 -0.912435950180E+02 0.94333E-02 -0.47207E-02 720 0.112E+00 0.308E-01
DAV: 11 -0.912483242031E+02 -0.47292E-02 -0.14078E-02 624 0.612E-01 0.158E-01
DAV: 12 -0.912512466871E+02 -0.29225E-02 -0.32157E-03 626 0.251E-01 0.128E-01
DAV: 13 -0.912549645541E+02 -0.37179E-02 -0.18646E-03 741 0.249E-01 0.452E-02
DAV: 14 -0.912581078735E+02 -0.31433E-02 -0.55747E-04 656 0.120E-01 0.409E-02
DAV: 15 -0.912601104617E+02 -0.20026E-02 -0.17054E-04 661 0.654E-02 0.383E-02
DAV: 16 -0.912613192686E+02 -0.12088E-02 -0.41131E-04 634 0.102E-01 0.234E-02
DAV: 17 -0.912615997717E+02 -0.28050E-03 -0.67228E-05 688 0.594E-02 0.131E-02
DAV: 18 -0.912618473603E+02 -0.24759E-03 -0.51045E-05 626 0.319E-02 0.120E-02
DAV: 19 -0.912618990471E+02 -0.51687E-04 -0.64627E-06 496 0.199E-02 0.608E-03
DAV: 20 -0.912619398278E+02 -0.40781E-04 -0.22846E-05 474 0.289E-02 0.647E-03
DAV: 21 -0.912619574783E+02 -0.17651E-04 -0.36884E-06 472 0.153E-02 0.328E-03
DAV: 22 -0.912619669230E+02 -0.94447E-05 -0.37596E-06 410 0.992E-03
1 F= -.91261967E+02 E0= -.91266944E+02 d E =0.149313E-01