./iterations/neb0_image08_iter265_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 0.374232340096E+03 0.37423E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.401044923103E+01 -0.37022E+03 -0.35790E+03 869 0.196E+02
DAV: 3 -0.967299964175E+02 -0.10074E+03 -0.10041E+03 669 0.117E+02
DAV: 4 -0.101266280355E+03 -0.45363E+01 -0.45238E+01 712 0.285E+01
DAV: 5 -0.101353976838E+03 -0.87696E-01 -0.87648E-01 728 0.360E+00 0.227E+01
DAV: 6 -0.926568022005E+02 0.86972E+01 -0.31059E+01 714 0.301E+01 0.119E+01
DAV: 7 -0.917935799667E+02 0.86322E+00 -0.17203E+00 728 0.613E+00 0.480E+00
DAV: 8 -0.914192831700E+02 0.37430E+00 -0.53523E-01 720 0.393E+00 0.162E+00
DAV: 9 -0.913386050152E+02 0.80678E-01 -0.13270E-01 728 0.155E+00 0.421E-01
DAV: 10 -0.913304737553E+02 0.81313E-02 -0.46111E-02 760 0.110E+00 0.305E-01
DAV: 11 -0.913354330614E+02 -0.49593E-02 -0.15283E-02 616 0.644E-01 0.158E-01
DAV: 12 -0.913381813190E+02 -0.27483E-02 -0.29324E-03 618 0.238E-01 0.113E-01
DAV: 13 -0.913419461908E+02 -0.37649E-02 -0.28044E-03 647 0.275E-01 0.573E-02
DAV: 14 -0.913452783456E+02 -0.33322E-02 -0.99482E-04 656 0.185E-01 0.303E-02
DAV: 15 -0.913465949091E+02 -0.13166E-02 -0.19508E-04 672 0.758E-02 0.199E-02
DAV: 16 -0.913475258469E+02 -0.93094E-03 -0.14768E-04 655 0.746E-02 0.110E-02
DAV: 17 -0.913480098842E+02 -0.48404E-03 -0.47826E-05 661 0.303E-02 0.119E-02
DAV: 18 -0.913481143023E+02 -0.10442E-03 -0.98513E-06 504 0.222E-02 0.627E-03
DAV: 19 -0.913482728191E+02 -0.15852E-03 -0.33237E-05 545 0.288E-02 0.611E-03
DAV: 20 -0.913482844796E+02 -0.11660E-04 -0.29222E-06 520 0.147E-02 0.324E-03
DAV: 21 -0.913483032276E+02 -0.18748E-04 -0.63152E-06 415 0.147E-02 0.219E-03
DAV: 22 -0.913483115304E+02 -0.83028E-05 -0.12651E-06 447 0.624E-03
1 F= -.91348312E+02 E0= -.91353198E+02 d E =0.146608E-01