iterations/neb0_image08_iter20_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 0.371991085968E+03 0.37199E+03 -0.14260E+04 624 0.799E+02
DAV: 2 0.291259780485E+01 -0.36908E+03 -0.35690E+03 869 0.195E+02
DAV: 3 -0.961900388748E+02 -0.99103E+02 -0.98760E+02 672 0.116E+02
DAV: 4 -0.100685573988E+03 -0.44955E+01 -0.44833E+01 704 0.282E+01
DAV: 5 -0.100775744676E+03 -0.90171E-01 -0.90123E-01 728 0.361E+00 0.224E+01
DAV: 6 -0.922095206564E+02 0.85662E+01 -0.30815E+01 696 0.303E+01 0.117E+01
DAV: 7 -0.913878407301E+02 0.82168E+00 -0.16779E+00 720 0.629E+00 0.477E+00
DAV: 8 -0.910198482220E+02 0.36799E+00 -0.56000E-01 712 0.405E+00 0.165E+00
DAV: 9 -0.909364071284E+02 0.83441E-01 -0.12830E-01 704 0.157E+00 0.430E-01
DAV: 10 -0.909270088592E+02 0.93983E-02 -0.35781E-02 752 0.947E-01 0.281E-01
DAV: 11 -0.909316464284E+02 -0.46376E-02 -0.11266E-02 613 0.585E-01 0.162E-01
DAV: 12 -0.909335046260E+02 -0.18582E-02 -0.19675E-03 640 0.257E-01 0.956E-02
DAV: 13 -0.909381680629E+02 -0.46634E-02 -0.30900E-03 622 0.303E-01 0.714E-02
DAV: 14 -0.909394165939E+02 -0.12485E-02 -0.45670E-04 768 0.179E-01 0.398E-02
DAV: 15 -0.909424557505E+02 -0.30392E-02 -0.88752E-04 620 0.170E-01 0.421E-02
DAV: 16 -0.909433380741E+02 -0.88232E-03 -0.16329E-04 792 0.100E-01 0.219E-02
DAV: 17 -0.909444415607E+02 -0.11035E-02 -0.21886E-04 633 0.777E-02 0.124E-02
DAV: 18 -0.909448277907E+02 -0.38623E-03 -0.37860E-05 680 0.278E-02 0.129E-02
DAV: 19 -0.909449573627E+02 -0.12957E-03 -0.13626E-05 448 0.250E-02 0.606E-03
DAV: 20 -0.909450125771E+02 -0.55214E-04 -0.20039E-05 452 0.257E-02 0.379E-03
DAV: 21 -0.909450379476E+02 -0.25371E-04 -0.46343E-06 436 0.101E-02 0.449E-03
DAV: 22 -0.909450447520E+02 -0.68044E-05 -0.12377E-06 450 0.774E-03
1 F= -.90945045E+02 E0= -.90950467E+02 d E =0.162676E-01