iterations/neb0_image06_iter181_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 0.371040362049E+03 0.37104E+03 -0.14348E+04 640 0.799E+02
DAV: 2 0.328802814933E+01 -0.36775E+03 -0.35576E+03 877 0.193E+02
DAV: 3 -0.960900690261E+02 -0.99378E+02 -0.99037E+02 693 0.116E+02
DAV: 4 -0.100511150066E+03 -0.44211E+01 -0.44097E+01 720 0.276E+01
DAV: 5 -0.100597917545E+03 -0.86767E-01 -0.86727E-01 720 0.346E+00 0.226E+01
DAV: 6 -0.920527180305E+02 0.85452E+01 -0.30531E+01 693 0.301E+01 0.118E+01
DAV: 7 -0.912188181469E+02 0.83390E+00 -0.17213E+00 728 0.625E+00 0.481E+00
DAV: 8 -0.908410921718E+02 0.37773E+00 -0.55578E-01 712 0.413E+00 0.164E+00
DAV: 9 -0.907538841816E+02 0.87208E-01 -0.12732E-01 720 0.157E+00 0.422E-01
DAV: 10 -0.907438430471E+02 0.10041E-01 -0.36168E-02 736 0.947E-01 0.283E-01
DAV: 11 -0.907477788652E+02 -0.39358E-02 -0.87082E-03 596 0.473E-01 0.137E-01
DAV: 12 -0.907508918165E+02 -0.31130E-02 -0.23491E-03 620 0.269E-01 0.816E-02
DAV: 13 -0.907545430915E+02 -0.36513E-02 -0.12428E-03 636 0.160E-01 0.666E-02
DAV: 14 -0.907583256085E+02 -0.37825E-02 -0.14215E-03 712 0.246E-01 0.478E-02
DAV: 15 -0.907596337370E+02 -0.13081E-02 -0.24198E-04 760 0.103E-01 0.404E-02
DAV: 16 -0.907611720981E+02 -0.15384E-02 -0.46693E-04 674 0.127E-01 0.216E-02
DAV: 17 -0.907618516935E+02 -0.67960E-03 -0.11044E-04 720 0.645E-02 0.120E-02
DAV: 18 -0.907620993096E+02 -0.24762E-03 -0.32123E-05 592 0.249E-02 0.735E-03
DAV: 19 -0.907622410450E+02 -0.14174E-03 -0.15471E-05 439 0.166E-02 0.269E-03
DAV: 20 -0.907622670646E+02 -0.26020E-04 -0.34235E-06 512 0.845E-03 0.119E-03
DAV: 21 -0.907622934239E+02 -0.26359E-04 -0.38808E-06 392 0.736E-03 0.144E-03
DAV: 22 -0.907622953756E+02 -0.19517E-05 -0.61527E-07 504 0.416E-03
1 F= -.90762295E+02 E0= -.90766925E+02 d E =0.138894E-01