./iterations/neb0_image01_iter83_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 0.366565989801E+03 0.36657E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.343426266400E+01 -0.36313E+03 -0.34974E+03 839 0.195E+02
DAV: 3 -0.957697143216E+02 -0.99204E+02 -0.98864E+02 688 0.116E+02
DAV: 4 -0.100189325230E+03 -0.44196E+01 -0.44104E+01 693 0.279E+01
DAV: 5 -0.100276763076E+03 -0.87438E-01 -0.87387E-01 736 0.349E+00 0.222E+01
DAV: 6 -0.916788869718E+02 0.85979E+01 -0.31108E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908641847149E+02 0.81470E+00 -0.18119E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904828682712E+02 0.38132E+00 -0.56121E-01 712 0.428E+00 0.167E+00
DAV: 9 -0.903986129190E+02 0.84255E-01 -0.13649E-01 704 0.164E+00 0.429E-01
DAV: 10 -0.903930826695E+02 0.55302E-02 -0.45130E-02 720 0.126E+00 0.315E-01
DAV: 11 -0.903968319089E+02 -0.37492E-02 -0.65268E-03 616 0.464E-01 0.150E-01
DAV: 12 -0.904003592558E+02 -0.35273E-02 -0.70803E-03 613 0.496E-01 0.126E-01
DAV: 13 -0.904032017706E+02 -0.28425E-02 -0.12609E-03 784 0.299E-01 0.784E-02
DAV: 14 -0.904060728726E+02 -0.28711E-02 -0.16492E-03 634 0.194E-01 0.602E-02
DAV: 15 -0.904082843494E+02 -0.22115E-02 -0.43637E-04 752 0.138E-01 0.427E-02
DAV: 16 -0.904094504204E+02 -0.11661E-02 -0.58724E-04 661 0.137E-01 0.342E-02
DAV: 17 -0.904103614198E+02 -0.91100E-03 -0.18550E-04 836 0.918E-02 0.192E-02
DAV: 18 -0.904105457998E+02 -0.18438E-03 -0.41662E-05 704 0.315E-02 0.140E-02
DAV: 19 -0.904107899485E+02 -0.24415E-03 -0.56993E-05 633 0.398E-02 0.557E-03
DAV: 20 -0.904108268168E+02 -0.36868E-04 -0.41374E-06 480 0.127E-02 0.525E-03
DAV: 21 -0.904108718068E+02 -0.44990E-04 -0.71390E-06 403 0.152E-02 0.164E-03
DAV: 22 -0.904108853018E+02 -0.13495E-04 -0.33804E-06 477 0.845E-03 0.180E-03
DAV: 23 -0.904108880148E+02 -0.27130E-05 -0.63424E-07 512 0.365E-03
1 F= -.90410888E+02 E0= -.90416054E+02 d E =0.154968E-01