./iterations/neb0_image04_iter236_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 0.368007527426E+03 0.36801E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.151942894421E+01 -0.36649E+03 -0.35510E+03 869 0.195E+02
DAV: 3 -0.960333673772E+02 -0.97553E+02 -0.97265E+02 661 0.116E+02
DAV: 4 -0.100309732901E+03 -0.42764E+01 -0.42673E+01 704 0.279E+01
DAV: 5 -0.100393184136E+03 -0.83451E-01 -0.83417E-01 728 0.349E+00 0.224E+01
DAV: 6 -0.916814792011E+02 0.87117E+01 -0.31189E+01 682 0.299E+01 0.117E+01
DAV: 7 -0.908188355853E+02 0.86264E+00 -0.17865E+00 712 0.653E+00 0.484E+00
DAV: 8 -0.904076795817E+02 0.41116E+00 -0.54271E-01 696 0.450E+00 0.177E+00
DAV: 9 -0.903169263017E+02 0.90753E-01 -0.15396E-01 728 0.208E+00 0.571E-01
DAV: 10 -0.903022684026E+02 0.14658E-01 -0.35930E-02 696 0.101E+00 0.348E-01
DAV: 11 -0.903039350042E+02 -0.16666E-02 -0.13513E-02 720 0.579E-01 0.227E-01
DAV: 12 -0.903071033355E+02 -0.31683E-02 -0.31501E-03 613 0.444E-01 0.144E-01
DAV: 13 -0.903101058599E+02 -0.30025E-02 -0.21567E-03 633 0.337E-01 0.111E-01
DAV: 14 -0.903142184750E+02 -0.41126E-02 -0.30218E-03 684 0.338E-01 0.625E-02
DAV: 15 -0.903158091418E+02 -0.15907E-02 -0.41444E-04 688 0.116E-01 0.526E-02
DAV: 16 -0.903182846499E+02 -0.24755E-02 -0.99275E-04 749 0.216E-01 0.396E-02
DAV: 17 -0.903192884647E+02 -0.10038E-02 -0.19566E-04 680 0.790E-02 0.382E-02
DAV: 18 -0.903198529343E+02 -0.56447E-03 -0.11976E-04 716 0.657E-02 0.190E-02
DAV: 19 -0.903203062589E+02 -0.45332E-03 -0.13015E-04 679 0.704E-02 0.128E-02
DAV: 20 -0.903204650428E+02 -0.15878E-03 -0.15484E-05 466 0.227E-02 0.103E-02
DAV: 21 -0.903205397499E+02 -0.74707E-04 -0.12889E-05 461 0.196E-02 0.408E-03
DAV: 22 -0.903206001151E+02 -0.60365E-04 -0.11800E-05 444 0.154E-02 0.220E-03
DAV: 23 -0.903206049734E+02 -0.48583E-05 -0.16014E-06 528 0.612E-03
1 F= -.90320605E+02 E0= -.90328813E+02 d E =0.246233E-01