./iterations/neb0_image03_iter232_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 0.362789340739E+03 0.36279E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.127556610377E+01 -0.36151E+03 -0.35028E+03 842 0.195E+02
DAV: 3 -0.959307129935E+02 -0.97206E+02 -0.96871E+02 680 0.115E+02
DAV: 4 -0.100244581202E+03 -0.43139E+01 -0.43022E+01 704 0.274E+01
DAV: 5 -0.100330355021E+03 -0.85774E-01 -0.85738E-01 736 0.345E+00 0.222E+01
DAV: 6 -0.917124894111E+02 0.86179E+01 -0.31090E+01 677 0.298E+01 0.117E+01
DAV: 7 -0.908649323871E+02 0.84756E+00 -0.17783E+00 720 0.637E+00 0.485E+00
DAV: 8 -0.904695143992E+02 0.39542E+00 -0.57850E-01 704 0.435E+00 0.168E+00
DAV: 9 -0.903788417923E+02 0.90673E-01 -0.13020E-01 720 0.166E+00 0.439E-01
DAV: 10 -0.903718780815E+02 0.69637E-02 -0.47846E-02 712 0.121E+00 0.336E-01
DAV: 11 -0.903761074478E+02 -0.42294E-02 -0.78741E-03 624 0.607E-01 0.121E-01
DAV: 12 -0.903793459299E+02 -0.32385E-02 -0.52624E-03 626 0.334E-01 0.119E-01
DAV: 13 -0.903836011362E+02 -0.42552E-02 -0.17459E-03 885 0.318E-01 0.903E-02
DAV: 14 -0.903864229003E+02 -0.28218E-02 -0.10655E-03 680 0.150E-01 0.578E-02
DAV: 15 -0.903887949389E+02 -0.23720E-02 -0.46729E-04 661 0.117E-01 0.267E-02
DAV: 16 -0.903901724335E+02 -0.13775E-02 -0.24740E-04 672 0.772E-02 0.233E-02
DAV: 17 -0.903908996296E+02 -0.72720E-03 -0.10998E-04 760 0.642E-02 0.103E-02
DAV: 18 -0.903912787227E+02 -0.37909E-03 -0.62607E-05 597 0.393E-02 0.963E-03
DAV: 19 -0.903913395081E+02 -0.60785E-04 -0.63025E-06 512 0.168E-02 0.557E-03
DAV: 20 -0.903914207758E+02 -0.81268E-04 -0.23514E-05 503 0.277E-02 0.554E-03
DAV: 21 -0.903914486489E+02 -0.27873E-04 -0.36792E-06 480 0.122E-02 0.394E-03
DAV: 22 -0.903914567321E+02 -0.80832E-05 -0.25067E-06 496 0.843E-03
1 F= -.90391457E+02 E0= -.90398801E+02 d E =0.220332E-01