./iterations/neb0_image05_iter117_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 0.371636783075E+03 0.37164E+03 -0.14295E+04 632 0.799E+02
DAV: 2 0.479438070249E+01 -0.36684E+03 -0.35437E+03 869 0.194E+02
DAV: 3 -0.940117149578E+02 -0.98806E+02 -0.98424E+02 637 0.116E+02
DAV: 4 -0.987903889048E+02 -0.47787E+01 -0.47654E+01 712 0.299E+01
DAV: 5 -0.988925132047E+02 -0.10212E+00 -0.10207E+00 728 0.388E+00 0.218E+01
DAV: 6 -0.905595743622E+02 0.83329E+01 -0.28801E+01 669 0.288E+01 0.112E+01
DAV: 7 -0.896938961206E+02 0.86568E+00 -0.17730E+00 736 0.663E+00 0.469E+00
DAV: 8 -0.893046153981E+02 0.38928E+00 -0.61844E-01 720 0.445E+00 0.157E+00
DAV: 9 -0.892219392882E+02 0.82676E-01 -0.12610E-01 728 0.165E+00 0.445E-01
DAV: 10 -0.892107710852E+02 0.11168E-01 -0.50932E-02 733 0.122E+00 0.341E-01
DAV: 11 -0.892127733088E+02 -0.20022E-02 -0.11358E-02 648 0.610E-01 0.121E-01
DAV: 12 -0.892146580927E+02 -0.18848E-02 -0.34178E-03 671 0.306E-01 0.123E-01
DAV: 13 -0.892201459101E+02 -0.54878E-02 -0.23283E-03 690 0.339E-01 0.678E-02
DAV: 14 -0.892227129546E+02 -0.25670E-02 -0.86051E-04 680 0.140E-01 0.526E-02
DAV: 15 -0.892255724473E+02 -0.28595E-02 -0.73509E-04 701 0.160E-01 0.306E-02
DAV: 16 -0.892267327616E+02 -0.11603E-02 -0.12681E-04 696 0.617E-02 0.232E-02
DAV: 17 -0.892277690769E+02 -0.10363E-02 -0.15386E-04 652 0.617E-02 0.102E-02
DAV: 18 -0.892282245788E+02 -0.45550E-03 -0.54956E-05 690 0.364E-02 0.800E-03
DAV: 19 -0.892283182933E+02 -0.93715E-04 -0.80169E-06 488 0.179E-02 0.418E-03
DAV: 20 -0.892284171389E+02 -0.98846E-04 -0.22725E-05 489 0.251E-02 0.657E-03
DAV: 21 -0.892284463263E+02 -0.29187E-04 -0.46671E-06 472 0.132E-02 0.358E-03
DAV: 22 -0.892284529360E+02 -0.66096E-05 -0.45805E-06 501 0.114E-02
1 F= -.89228453E+02 E0= -.89232500E+02 d E =0.121414E-01