./iterations/neb0_image01_iter95_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 0.366374373408E+03 0.36637E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.341511680524E+01 -0.36296E+03 -0.34960E+03 839 0.195E+02
DAV: 3 -0.957587853265E+02 -0.99174E+02 -0.98834E+02 688 0.116E+02
DAV: 4 -0.100182705030E+03 -0.44239E+01 -0.44148E+01 685 0.279E+01
DAV: 5 -0.100270618193E+03 -0.87913E-01 -0.87860E-01 744 0.350E+00 0.222E+01
DAV: 6 -0.916771978726E+02 0.85934E+01 -0.31084E+01 693 0.299E+01 0.117E+01
DAV: 7 -0.908654847746E+02 0.81171E+00 -0.18147E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.904854357356E+02 0.38005E+00 -0.56029E-01 712 0.429E+00 0.167E+00
DAV: 9 -0.904012644337E+02 0.84171E-01 -0.13549E-01 712 0.164E+00 0.428E-01
DAV: 10 -0.903959037710E+02 0.53607E-02 -0.45072E-02 712 0.124E+00 0.314E-01
DAV: 11 -0.903997570634E+02 -0.38533E-02 -0.66126E-03 616 0.472E-01 0.144E-01
DAV: 12 -0.904032877067E+02 -0.35306E-02 -0.68635E-03 613 0.486E-01 0.126E-01
DAV: 13 -0.904060128247E+02 -0.27251E-02 -0.12957E-03 816 0.301E-01 0.770E-02
DAV: 14 -0.904089552331E+02 -0.29424E-02 -0.15567E-03 626 0.188E-01 0.592E-02
DAV: 15 -0.904111000096E+02 -0.21448E-02 -0.41885E-04 736 0.131E-01 0.448E-02
DAV: 16 -0.904122895850E+02 -0.11896E-02 -0.65235E-04 661 0.146E-01 0.338E-02
DAV: 17 -0.904131922510E+02 -0.90267E-03 -0.19404E-04 850 0.952E-02 0.196E-02
DAV: 18 -0.904133409807E+02 -0.14873E-03 -0.35828E-05 704 0.303E-02 0.144E-02
DAV: 19 -0.904135995985E+02 -0.25862E-03 -0.62482E-05 630 0.416E-02 0.509E-03
DAV: 20 -0.904136283084E+02 -0.28710E-04 -0.46535E-06 488 0.126E-02 0.540E-03
DAV: 21 -0.904136714308E+02 -0.43122E-04 -0.53000E-06 403 0.131E-02 0.280E-03
DAV: 22 -0.904136875803E+02 -0.16149E-04 -0.39665E-06 477 0.952E-03 0.197E-03
DAV: 23 -0.904136901306E+02 -0.25503E-05 -0.82144E-07 520 0.504E-03
1 F= -.90413690E+02 E0= -.90418835E+02 d E =0.154354E-01