iterations/neb0_image05_iter43_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 0.373236545045E+03 0.37324E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.440717635552E+01 -0.36883E+03 -0.35712E+03 877 0.195E+02
DAV: 3 -0.935421086543E+02 -0.97949E+02 -0.97577E+02 629 0.116E+02
DAV: 4 -0.983889516723E+02 -0.48468E+01 -0.48320E+01 728 0.304E+01
DAV: 5 -0.984914506207E+02 -0.10250E+00 -0.10246E+00 704 0.395E+00 0.221E+01
DAV: 6 -0.901682507274E+02 0.83232E+01 -0.29320E+01 682 0.296E+01 0.114E+01
DAV: 7 -0.893287528001E+02 0.83950E+00 -0.16939E+00 720 0.654E+00 0.469E+00
DAV: 8 -0.889505487631E+02 0.37820E+00 -0.58134E-01 712 0.421E+00 0.163E+00
DAV: 9 -0.888616306617E+02 0.88918E-01 -0.13194E-01 712 0.166E+00 0.445E-01
DAV: 10 -0.888517958721E+02 0.98348E-02 -0.27537E-02 784 0.885E-01 0.292E-01
DAV: 11 -0.888543407941E+02 -0.25449E-02 -0.11657E-02 610 0.708E-01 0.149E-01
DAV: 12 -0.888560587241E+02 -0.17179E-02 -0.27327E-03 760 0.346E-01 0.107E-01
DAV: 13 -0.888608805526E+02 -0.48218E-02 -0.44044E-03 628 0.423E-01 0.105E-01
DAV: 14 -0.888627133746E+02 -0.18328E-02 -0.67213E-04 760 0.203E-01 0.669E-02
DAV: 15 -0.888655818551E+02 -0.28685E-02 -0.17951E-03 631 0.269E-01 0.514E-02
DAV: 16 -0.888673531931E+02 -0.17713E-02 -0.41398E-04 789 0.159E-01 0.250E-02
DAV: 17 -0.888682798700E+02 -0.92668E-03 -0.20282E-04 701 0.761E-02 0.152E-02
DAV: 18 -0.888691331598E+02 -0.85329E-03 -0.11784E-04 644 0.500E-02 0.104E-02
DAV: 19 -0.888692950498E+02 -0.16189E-03 -0.11741E-05 512 0.250E-02 0.569E-03
DAV: 20 -0.888694664600E+02 -0.17141E-03 -0.37974E-05 539 0.303E-02 0.636E-03
DAV: 21 -0.888694858502E+02 -0.19390E-04 -0.35758E-06 512 0.179E-02 0.339E-03
DAV: 22 -0.888695165316E+02 -0.30681E-04 -0.96286E-06 392 0.177E-02 0.336E-03
DAV: 23 -0.888695235124E+02 -0.69808E-05 -0.18257E-06 496 0.895E-03
1 F= -.88869524E+02 E0= -.88873701E+02 d E =0.125323E-01