./iterations/neb0_image03_iter267_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 0.363539773633E+03 0.36354E+03 -0.14327E+04 632 0.799E+02
DAV: 2 0.231784076398E+01 -0.36122E+03 -0.34917E+03 837 0.195E+02
DAV: 3 -0.959101981661E+02 -0.98228E+02 -0.97908E+02 669 0.116E+02
DAV: 4 -0.100333663029E+03 -0.44235E+01 -0.44129E+01 704 0.281E+01
DAV: 5 -0.100420860789E+03 -0.87198E-01 -0.87169E-01 744 0.353E+00 0.223E+01
DAV: 6 -0.917216990176E+02 0.86992E+01 -0.31413E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908797033105E+02 0.84200E+00 -0.18027E+00 712 0.633E+00 0.485E+00
DAV: 8 -0.904884922661E+02 0.39121E+00 -0.55574E-01 696 0.428E+00 0.170E+00
DAV: 9 -0.903974330598E+02 0.91059E-01 -0.13565E-01 696 0.168E+00 0.439E-01
DAV: 10 -0.903913226044E+02 0.61105E-02 -0.46753E-02 712 0.121E+00 0.332E-01
DAV: 11 -0.903953228066E+02 -0.40002E-02 -0.70239E-03 624 0.595E-01 0.122E-01
DAV: 12 -0.903986751829E+02 -0.33524E-02 -0.53934E-03 629 0.352E-01 0.116E-01
DAV: 13 -0.904028567666E+02 -0.41816E-02 -0.13776E-03 810 0.260E-01 0.834E-02
DAV: 14 -0.904060974994E+02 -0.32407E-02 -0.11911E-03 656 0.151E-01 0.514E-02
DAV: 15 -0.904083271393E+02 -0.22296E-02 -0.33994E-04 677 0.973E-02 0.271E-02
DAV: 16 -0.904096966362E+02 -0.13695E-02 -0.31389E-04 661 0.923E-02 0.250E-02
DAV: 17 -0.904102703746E+02 -0.57374E-03 -0.99877E-05 792 0.640E-02 0.118E-02
DAV: 18 -0.904105148089E+02 -0.24443E-03 -0.49738E-05 658 0.375E-02 0.114E-02
DAV: 19 -0.904106372871E+02 -0.12248E-03 -0.13865E-05 477 0.258E-02 0.582E-03
DAV: 20 -0.904107162736E+02 -0.78987E-04 -0.30786E-05 567 0.294E-02 0.700E-03
DAV: 21 -0.904107495751E+02 -0.33302E-04 -0.76714E-06 472 0.239E-02 0.215E-03
DAV: 22 -0.904107574996E+02 -0.79245E-05 -0.63372E-06 544 0.131E-02
1 F= -.90410757E+02 E0= -.90418816E+02 d E =0.241757E-01