./iterations/neb0_image01_iter102_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 0.366390314657E+03 0.36639E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.340424975413E+01 -0.36299E+03 -0.34965E+03 839 0.195E+02
DAV: 3 -0.957254789608E+02 -0.99130E+02 -0.98787E+02 680 0.116E+02
DAV: 4 -0.100195380644E+03 -0.44699E+01 -0.44607E+01 685 0.283E+01
DAV: 5 -0.100283791157E+03 -0.88411E-01 -0.88357E-01 744 0.356E+00 0.222E+01
DAV: 6 -0.916759997780E+02 0.86078E+01 -0.31151E+01 693 0.299E+01 0.117E+01
DAV: 7 -0.908692193091E+02 0.80678E+00 -0.18189E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904902589743E+02 0.37896E+00 -0.55475E-01 712 0.426E+00 0.168E+00
DAV: 9 -0.904055565171E+02 0.84702E-01 -0.13525E-01 704 0.164E+00 0.427E-01
DAV: 10 -0.904003174513E+02 0.52391E-02 -0.46039E-02 720 0.124E+00 0.317E-01
DAV: 11 -0.904042401865E+02 -0.39227E-02 -0.68871E-03 608 0.491E-01 0.137E-01
DAV: 12 -0.904077915054E+02 -0.35513E-02 -0.69057E-03 629 0.473E-01 0.129E-01
DAV: 13 -0.904104108213E+02 -0.26193E-02 -0.14837E-03 848 0.315E-01 0.762E-02
DAV: 14 -0.904133978925E+02 -0.29871E-02 -0.14293E-03 634 0.180E-01 0.605E-02
DAV: 15 -0.904154096732E+02 -0.20118E-02 -0.37995E-04 680 0.120E-01 0.467E-02
DAV: 16 -0.904167505138E+02 -0.13408E-02 -0.83006E-04 653 0.169E-01 0.374E-02
DAV: 17 -0.904175706527E+02 -0.82014E-03 -0.18085E-04 829 0.950E-02 0.228E-02
DAV: 18 -0.904177143554E+02 -0.14370E-03 -0.42157E-05 696 0.330E-02 0.146E-02
DAV: 19 -0.904179763105E+02 -0.26196E-03 -0.64552E-05 633 0.413E-02 0.585E-03
DAV: 20 -0.904180018237E+02 -0.25513E-04 -0.59241E-06 480 0.158E-02 0.594E-03
DAV: 21 -0.904180372751E+02 -0.35451E-04 -0.73002E-06 412 0.171E-02 0.513E-03
DAV: 22 -0.904180612748E+02 -0.24000E-04 -0.40243E-06 469 0.114E-02 0.364E-03
DAV: 23 -0.904180638209E+02 -0.25461E-05 -0.38161E-06 528 0.110E-02
1 F= -.90418064E+02 E0= -.90423133E+02 d E =0.152073E-01