iterations/neb0_image05_iter190_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 0.367900783760E+03 0.36790E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.317972669193E+01 -0.36472E+03 -0.35184E+03 864 0.195E+02
DAV: 3 -0.953346893688E+02 -0.98514E+02 -0.98182E+02 669 0.116E+02
DAV: 4 -0.999210355699E+02 -0.45863E+01 -0.45751E+01 704 0.284E+01
DAV: 5 -0.100014711804E+03 -0.93676E-01 -0.93628E-01 728 0.359E+00 0.220E+01
DAV: 6 -0.915196185296E+02 0.84951E+01 -0.30878E+01 677 0.299E+01 0.116E+01
DAV: 7 -0.907524870490E+02 0.76713E+00 -0.18592E+00 728 0.642E+00 0.482E+00
DAV: 8 -0.903825512556E+02 0.36994E+00 -0.52347E-01 720 0.422E+00 0.171E+00
DAV: 9 -0.902934786528E+02 0.89073E-01 -0.14008E-01 720 0.171E+00 0.434E-01
DAV: 10 -0.902860550533E+02 0.74236E-02 -0.42611E-02 784 0.122E+00 0.310E-01
DAV: 11 -0.902894421076E+02 -0.33871E-02 -0.71492E-03 608 0.512E-01 0.149E-01
DAV: 12 -0.902918044478E+02 -0.23623E-02 -0.51706E-03 629 0.448E-01 0.106E-01
DAV: 13 -0.902950017479E+02 -0.31973E-02 -0.10780E-03 672 0.220E-01 0.866E-02
DAV: 14 -0.902981772271E+02 -0.31755E-02 -0.16707E-03 660 0.205E-01 0.531E-02
DAV: 15 -0.903009645502E+02 -0.27873E-02 -0.65307E-04 760 0.177E-01 0.395E-02
DAV: 16 -0.903022224551E+02 -0.12579E-02 -0.43050E-04 688 0.104E-01 0.325E-02
DAV: 17 -0.903030388752E+02 -0.81642E-03 -0.19013E-04 733 0.935E-02 0.187E-02
DAV: 18 -0.903032671116E+02 -0.22824E-03 -0.77282E-05 720 0.470E-02 0.153E-02
DAV: 19 -0.903034654057E+02 -0.19829E-03 -0.29756E-05 562 0.309E-02 0.656E-03
DAV: 20 -0.903035538737E+02 -0.88468E-04 -0.13203E-05 480 0.201E-02 0.355E-03
DAV: 21 -0.903035890474E+02 -0.35174E-04 -0.75059E-06 445 0.130E-02 0.289E-03
DAV: 22 -0.903035956212E+02 -0.65738E-05 -0.13108E-06 488 0.615E-03
1 F= -.90303596E+02 E0= -.90310858E+02 d E =0.217875E-01