iterations/neb0_image09_iter52_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 0.374379848894E+03 0.37438E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.250891664744E+01 -0.37187E+03 -0.35950E+03 877 0.196E+02
DAV: 3 -0.966667835293E+02 -0.99176E+02 -0.98840E+02 656 0.117E+02
DAV: 4 -0.101206459691E+03 -0.45397E+01 -0.45305E+01 688 0.289E+01
DAV: 5 -0.101296868613E+03 -0.90409E-01 -0.90369E-01 736 0.369E+00 0.226E+01
DAV: 6 -0.926611368474E+02 0.86357E+01 -0.30846E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.917977205342E+02 0.86342E+00 -0.17111E+00 728 0.616E+00 0.479E+00
DAV: 8 -0.914208855119E+02 0.37684E+00 -0.54754E-01 712 0.398E+00 0.163E+00
DAV: 9 -0.913383626614E+02 0.82523E-01 -0.13032E-01 704 0.155E+00 0.423E-01
DAV: 10 -0.913293134258E+02 0.90492E-02 -0.46062E-02 752 0.112E+00 0.305E-01
DAV: 11 -0.913339603170E+02 -0.46469E-02 -0.13946E-02 613 0.608E-01 0.155E-01
DAV: 12 -0.913368555173E+02 -0.28952E-02 -0.30615E-03 625 0.243E-01 0.116E-01
DAV: 13 -0.913407045269E+02 -0.38490E-02 -0.18030E-03 704 0.233E-01 0.448E-02
DAV: 14 -0.913440530412E+02 -0.33485E-02 -0.58366E-04 661 0.135E-01 0.313E-02
DAV: 15 -0.913455000358E+02 -0.14470E-02 -0.13304E-04 688 0.655E-02 0.333E-02
DAV: 16 -0.913468506521E+02 -0.13506E-02 -0.37326E-04 647 0.101E-01 0.215E-02
DAV: 17 -0.913470952485E+02 -0.24460E-03 -0.46426E-05 688 0.498E-02 0.134E-02
DAV: 18 -0.913473167649E+02 -0.22152E-03 -0.53474E-05 637 0.387E-02 0.112E-02
DAV: 19 -0.913474302848E+02 -0.11352E-03 -0.10694E-05 472 0.221E-02 0.564E-03
DAV: 20 -0.913474702220E+02 -0.39937E-04 -0.14895E-05 453 0.216E-02 0.282E-03
DAV: 21 -0.913474931610E+02 -0.22939E-04 -0.33378E-06 431 0.944E-03 0.221E-03
DAV: 22 -0.913474979815E+02 -0.48205E-05 -0.11162E-06 472 0.581E-03
1 F= -.91347498E+02 E0= -.91352105E+02 d E =0.138198E-01