iterations/neb0_image03_iter187_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 0.364200410990E+03 0.36420E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.690676131076E-01 -0.36413E+03 -0.35406E+03 858 0.195E+02
DAV: 3 -0.960772452410E+02 -0.96146E+02 -0.95838E+02 666 0.115E+02
DAV: 4 -0.100266238286E+03 -0.41890E+01 -0.41772E+01 720 0.274E+01
DAV: 5 -0.100348522376E+03 -0.82284E-01 -0.82247E-01 736 0.345E+00 0.222E+01
DAV: 6 -0.917213454392E+02 0.86272E+01 -0.30936E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908791660290E+02 0.84218E+00 -0.18265E+00 704 0.640E+00 0.483E+00
DAV: 8 -0.904855732479E+02 0.39359E+00 -0.54310E-01 704 0.419E+00 0.171E+00
DAV: 9 -0.903879627255E+02 0.97611E-01 -0.12621E-01 712 0.213E+00 0.455E-01
DAV: 10 -0.903806192597E+02 0.73435E-02 -0.44918E-02 712 0.115E+00 0.356E-01
DAV: 11 -0.903837071618E+02 -0.30879E-02 -0.14344E-02 608 0.834E-01 0.173E-01
DAV: 12 -0.903854736910E+02 -0.17665E-02 -0.63513E-03 672 0.511E-01 0.132E-01
DAV: 13 -0.903897392732E+02 -0.42656E-02 -0.44460E-03 645 0.408E-01 0.869E-02
DAV: 14 -0.903931296635E+02 -0.33904E-02 -0.83216E-04 677 0.174E-01 0.527E-02
DAV: 15 -0.903957524542E+02 -0.26228E-02 -0.53564E-04 656 0.115E-01 0.218E-02
DAV: 16 -0.903976470741E+02 -0.18946E-02 -0.22461E-04 672 0.682E-02 0.218E-02
DAV: 17 -0.903984460353E+02 -0.79896E-03 -0.81356E-05 728 0.650E-02 0.107E-02
DAV: 18 -0.903990538957E+02 -0.60786E-03 -0.99093E-05 647 0.534E-02 0.133E-02
DAV: 19 -0.903992324723E+02 -0.17858E-03 -0.27049E-05 552 0.378E-02 0.556E-03
DAV: 20 -0.903993116989E+02 -0.79227E-04 -0.16775E-05 469 0.225E-02 0.415E-03
DAV: 21 -0.903993740694E+02 -0.62370E-04 -0.84445E-06 453 0.180E-02 0.264E-03
DAV: 22 -0.903993930194E+02 -0.18950E-04 -0.44412E-06 496 0.113E-02 0.239E-03
DAV: 23 -0.903993977413E+02 -0.47219E-05 -0.12965E-06 496 0.811E-03
1 F= -.90399398E+02 E0= -.90407325E+02 d E =0.237814E-01