./iterations/neb0_image01_iter86_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 0.366548754961E+03 0.36655E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.343496382231E+01 -0.36311E+03 -0.34973E+03 839 0.195E+02
DAV: 3 -0.957685046153E+02 -0.99203E+02 -0.98864E+02 688 0.116E+02
DAV: 4 -0.100188979677E+03 -0.44205E+01 -0.44113E+01 685 0.279E+01
DAV: 5 -0.100276745834E+03 -0.87766E-01 -0.87714E-01 736 0.350E+00 0.222E+01
DAV: 6 -0.916790320932E+02 0.85977E+01 -0.31103E+01 693 0.299E+01 0.117E+01
DAV: 7 -0.908639887790E+02 0.81504E+00 -0.18137E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.904827697136E+02 0.38122E+00 -0.56170E-01 712 0.428E+00 0.167E+00
DAV: 9 -0.903985402260E+02 0.84229E-01 -0.13635E-01 704 0.164E+00 0.429E-01
DAV: 10 -0.903930361400E+02 0.55041E-02 -0.45093E-02 728 0.126E+00 0.314E-01
DAV: 11 -0.903967851485E+02 -0.37490E-02 -0.64922E-03 616 0.464E-01 0.149E-01
DAV: 12 -0.904003083590E+02 -0.35232E-02 -0.69814E-03 613 0.492E-01 0.125E-01
DAV: 13 -0.904031496358E+02 -0.28413E-02 -0.12316E-03 784 0.295E-01 0.783E-02
DAV: 14 -0.904060379706E+02 -0.28883E-02 -0.16543E-03 634 0.195E-01 0.600E-02
DAV: 15 -0.904082272929E+02 -0.21893E-02 -0.43334E-04 760 0.139E-01 0.425E-02
DAV: 16 -0.904093923709E+02 -0.11651E-02 -0.58081E-04 661 0.136E-01 0.339E-02
DAV: 17 -0.904103118652E+02 -0.91949E-03 -0.18177E-04 780 0.910E-02 0.195E-02
DAV: 18 -0.904105010870E+02 -0.18922E-03 -0.46374E-05 704 0.333E-02 0.139E-02
DAV: 19 -0.904107382922E+02 -0.23721E-03 -0.55234E-05 633 0.384E-02 0.525E-03
DAV: 20 -0.904107767106E+02 -0.38418E-04 -0.37539E-06 480 0.122E-02 0.475E-03
DAV: 21 -0.904108223597E+02 -0.45649E-04 -0.73039E-06 403 0.147E-02 0.137E-03
DAV: 22 -0.904108345764E+02 -0.12217E-04 -0.26984E-06 477 0.727E-03 0.153E-03
DAV: 23 -0.904108371842E+02 -0.26078E-05 -0.55534E-07 504 0.345E-03
1 F= -.90410837E+02 E0= -.90415907E+02 d E =0.152093E-01