./iterations/neb0_image07_iter13_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 0.365439107777E+03 0.36544E+03 -0.14223E+04 624 0.799E+02
DAV: 2 0.241775137973E+01 -0.36302E+03 -0.35085E+03 874 0.194E+02
DAV: 3 -0.954779133087E+02 -0.97896E+02 -0.97514E+02 709 0.115E+02
DAV: 4 -0.995412724104E+02 -0.40634E+01 -0.40489E+01 736 0.259E+01
DAV: 5 -0.996221888113E+02 -0.80916E-01 -0.80881E-01 736 0.325E+00 0.218E+01
DAV: 6 -0.910278687615E+02 0.85943E+01 -0.31282E+01 704 0.302E+01 0.114E+01
DAV: 7 -0.901972199490E+02 0.83065E+00 -0.16615E+00 728 0.682E+00 0.484E+00
DAV: 8 -0.898179166665E+02 0.37930E+00 -0.72527E-01 712 0.461E+00 0.168E+00
DAV: 9 -0.897344811085E+02 0.83436E-01 -0.14195E-01 717 0.183E+00 0.520E-01
DAV: 10 -0.897243433302E+02 0.10138E-01 -0.23283E-02 728 0.725E-01 0.287E-01
DAV: 11 -0.897265569475E+02 -0.22136E-02 -0.13111E-02 605 0.701E-01 0.171E-01
DAV: 12 -0.897282025918E+02 -0.16456E-02 -0.31998E-03 644 0.400E-01 0.106E-01
DAV: 13 -0.897328930290E+02 -0.46904E-02 -0.38548E-03 617 0.342E-01 0.107E-01
DAV: 14 -0.897351602801E+02 -0.22673E-02 -0.14072E-03 693 0.227E-01 0.551E-02
DAV: 15 -0.897380030161E+02 -0.28427E-02 -0.17144E-03 717 0.268E-01 0.661E-02
DAV: 16 -0.897392299998E+02 -0.12270E-02 -0.45072E-04 949 0.167E-01 0.303E-02
DAV: 17 -0.897398099034E+02 -0.57990E-03 -0.18533E-04 696 0.748E-02 0.124E-02
DAV: 18 -0.897405827318E+02 -0.77283E-03 -0.80731E-05 631 0.400E-02 0.851E-03
DAV: 19 -0.897408881226E+02 -0.30539E-03 -0.24810E-05 605 0.240E-02 0.491E-03
DAV: 20 -0.897409797605E+02 -0.91638E-04 -0.10315E-05 469 0.190E-02 0.206E-03
DAV: 21 -0.897410197177E+02 -0.39957E-04 -0.60660E-06 425 0.110E-02 0.262E-03
DAV: 22 -0.897410269808E+02 -0.72632E-05 -0.13728E-06 496 0.637E-03
1 F= -.89741027E+02 E0= -.89745117E+02 d E =0.122701E-01