iterations/neb0_image09_iter235_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 0.374134769894E+03 0.37413E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.329689233617E+01 -0.37084E+03 -0.35822E+03 869 0.196E+02
DAV: 3 -0.967516390885E+02 -0.10005E+03 -0.99719E+02 661 0.117E+02
DAV: 4 -0.101281064774E+03 -0.45294E+01 -0.45188E+01 720 0.287E+01
DAV: 5 -0.101369737729E+03 -0.88673E-01 -0.88633E-01 720 0.364E+00 0.227E+01
DAV: 6 -0.926855916691E+02 0.86841E+01 -0.30977E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918117947575E+02 0.87380E+00 -0.17180E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914350396959E+02 0.37676E+00 -0.54657E-01 712 0.396E+00 0.162E+00
DAV: 9 -0.913542457941E+02 0.80794E-01 -0.13172E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913460858779E+02 0.81599E-02 -0.44250E-02 760 0.109E+00 0.300E-01
DAV: 11 -0.913505096617E+02 -0.44238E-02 -0.12102E-02 608 0.572E-01 0.135E-01
DAV: 12 -0.913537187026E+02 -0.32090E-02 -0.28686E-03 623 0.241E-01 0.109E-01
DAV: 13 -0.913571899099E+02 -0.34712E-02 -0.13619E-03 706 0.201E-01 0.413E-02
DAV: 14 -0.913604904713E+02 -0.33006E-02 -0.62694E-04 656 0.139E-01 0.356E-02
DAV: 15 -0.913618047669E+02 -0.13143E-02 -0.13293E-04 768 0.779E-02 0.317E-02
DAV: 16 -0.913632688651E+02 -0.14641E-02 -0.33071E-04 645 0.892E-02 0.183E-02
DAV: 17 -0.913636337822E+02 -0.36492E-03 -0.68933E-05 744 0.596E-02 0.115E-02
DAV: 18 -0.913638787164E+02 -0.24493E-03 -0.36321E-05 565 0.245E-02 0.894E-03
DAV: 19 -0.913639407004E+02 -0.61984E-04 -0.92015E-06 488 0.166E-02 0.351E-03
DAV: 20 -0.913639684290E+02 -0.27729E-04 -0.67050E-06 432 0.155E-02 0.206E-03
DAV: 21 -0.913639807068E+02 -0.12278E-04 -0.18984E-06 464 0.661E-03 0.221E-03
DAV: 22 -0.913639864784E+02 -0.57716E-05 -0.90259E-07 437 0.589E-03
1 F= -.91363986E+02 E0= -.91368827E+02 d E =0.145226E-01