./iterations/neb0_image05_iter123_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 0.372346342697E+03 0.37235E+03 -0.14302E+04 632 0.799E+02
DAV: 2 0.481911540628E+01 -0.36753E+03 -0.35505E+03 866 0.194E+02
DAV: 3 -0.940676598156E+02 -0.98887E+02 -0.98505E+02 629 0.116E+02
DAV: 4 -0.988810550683E+02 -0.48134E+01 -0.48003E+01 712 0.304E+01
DAV: 5 -0.989838031329E+02 -0.10275E+00 -0.10269E+00 728 0.394E+00 0.219E+01
DAV: 6 -0.906074851369E+02 0.83763E+01 -0.28870E+01 672 0.288E+01 0.112E+01
DAV: 7 -0.897343506683E+02 0.87313E+00 -0.17923E+00 736 0.665E+00 0.470E+00
DAV: 8 -0.893425587480E+02 0.39179E+00 -0.61221E-01 704 0.447E+00 0.157E+00
DAV: 9 -0.892588299943E+02 0.83729E-01 -0.13133E-01 728 0.164E+00 0.444E-01
DAV: 10 -0.892474785640E+02 0.11351E-01 -0.46136E-02 725 0.118E+00 0.325E-01
DAV: 11 -0.892495294919E+02 -0.20509E-02 -0.87743E-03 656 0.538E-01 0.120E-01
DAV: 12 -0.892520499444E+02 -0.25205E-02 -0.36423E-03 668 0.318E-01 0.115E-01
DAV: 13 -0.892570233577E+02 -0.49734E-02 -0.11837E-03 741 0.263E-01 0.651E-02
DAV: 14 -0.892599080660E+02 -0.28847E-02 -0.11067E-03 650 0.157E-01 0.447E-02
DAV: 15 -0.892624235073E+02 -0.25154E-02 -0.38544E-04 706 0.123E-01 0.251E-02
DAV: 16 -0.892639958021E+02 -0.15723E-02 -0.21449E-04 658 0.681E-02 0.259E-02
DAV: 17 -0.892648327044E+02 -0.83690E-03 -0.14669E-04 778 0.785E-02 0.996E-03
DAV: 18 -0.892650765615E+02 -0.24386E-03 -0.33659E-05 688 0.307E-02 0.872E-03
DAV: 19 -0.892652746828E+02 -0.19812E-03 -0.23211E-05 497 0.244E-02 0.448E-03
DAV: 20 -0.892653310351E+02 -0.56352E-04 -0.96750E-06 488 0.195E-02 0.378E-03
DAV: 21 -0.892653752420E+02 -0.44207E-04 -0.10063E-05 430 0.161E-02 0.304E-03
DAV: 22 -0.892653762351E+02 -0.99308E-06 -0.22092E-06 536 0.730E-03
1 F= -.89265376E+02 E0= -.89270947E+02 d E =0.167123E-01