./iterations/neb0_image09_iter41_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 0.374760001108E+03 0.37476E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.253182377351E+01 -0.37223E+03 -0.35980E+03 877 0.196E+02
DAV: 3 -0.969691154185E+02 -0.99501E+02 -0.99171E+02 680 0.117E+02
DAV: 4 -0.101264920239E+03 -0.42958E+01 -0.42869E+01 696 0.277E+01
DAV: 5 -0.101348370986E+03 -0.83451E-01 -0.83413E-01 736 0.349E+00 0.227E+01
DAV: 6 -0.926713586475E+02 0.86770E+01 -0.30896E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.917923072796E+02 0.87905E+00 -0.17167E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.914132526417E+02 0.37905E+00 -0.54231E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913305078382E+02 0.82745E-01 -0.13274E-01 701 0.156E+00 0.426E-01
DAV: 10 -0.913216814315E+02 0.88264E-02 -0.46370E-02 784 0.113E+00 0.305E-01
DAV: 11 -0.913262694106E+02 -0.45880E-02 -0.14292E-02 610 0.629E-01 0.153E-01
DAV: 12 -0.913289142540E+02 -0.26448E-02 -0.27279E-03 626 0.241E-01 0.113E-01
DAV: 13 -0.913329223120E+02 -0.40081E-02 -0.22587E-03 650 0.244E-01 0.485E-02
DAV: 14 -0.913360788886E+02 -0.31566E-02 -0.60210E-04 672 0.155E-01 0.272E-02
DAV: 15 -0.913378076141E+02 -0.17287E-02 -0.20809E-04 664 0.733E-02 0.271E-02
DAV: 16 -0.913389171255E+02 -0.11095E-02 -0.19426E-04 693 0.800E-02 0.122E-02
DAV: 17 -0.913394465493E+02 -0.52942E-03 -0.47140E-05 661 0.327E-02 0.135E-02
DAV: 18 -0.913396283274E+02 -0.18178E-03 -0.26863E-05 544 0.319E-02 0.814E-03
DAV: 19 -0.913397564191E+02 -0.12809E-03 -0.22354E-05 463 0.233E-02 0.511E-03
DAV: 20 -0.913397654326E+02 -0.90135E-05 -0.31928E-06 536 0.104E-02
1 F= -.91339765E+02 E0= -.91344496E+02 d E =0.141919E-01