./iterations/neb0_image06_iter192_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 0.371579243977E+03 0.37158E+03 -0.14352E+04 640 0.799E+02
DAV: 2 0.450836219464E+01 -0.36707E+03 -0.35507E+03 858 0.193E+02
DAV: 3 -0.958656152516E+02 -0.10037E+03 -0.10003E+03 685 0.116E+02
DAV: 4 -0.100502304461E+03 -0.46367E+01 -0.46241E+01 720 0.283E+01
DAV: 5 -0.100595590770E+03 -0.93286E-01 -0.93233E-01 736 0.358E+00 0.227E+01
DAV: 6 -0.920103009461E+02 0.85853E+01 -0.30584E+01 701 0.302E+01 0.118E+01
DAV: 7 -0.911769223409E+02 0.83338E+00 -0.17554E+00 720 0.625E+00 0.480E+00
DAV: 8 -0.908003980444E+02 0.37652E+00 -0.54193E-01 704 0.410E+00 0.166E+00
DAV: 9 -0.907105516441E+02 0.89846E-01 -0.12847E-01 704 0.158E+00 0.421E-01
DAV: 10 -0.907004669861E+02 0.10085E-01 -0.38882E-02 760 0.982E-01 0.289E-01
DAV: 11 -0.907049499070E+02 -0.44829E-02 -0.10733E-02 602 0.541E-01 0.155E-01
DAV: 12 -0.907072652007E+02 -0.23153E-02 -0.21371E-03 640 0.251E-01 0.884E-02
DAV: 13 -0.907116397323E+02 -0.43745E-02 -0.20693E-03 636 0.222E-01 0.600E-02
DAV: 14 -0.907140885441E+02 -0.24488E-02 -0.62519E-04 896 0.192E-01 0.348E-02
DAV: 15 -0.907167155468E+02 -0.26270E-02 -0.49057E-04 618 0.107E-01 0.357E-02
DAV: 16 -0.907177392539E+02 -0.10237E-02 -0.11814E-04 696 0.685E-02 0.155E-02
DAV: 17 -0.907187195485E+02 -0.98029E-03 -0.23568E-04 626 0.847E-02 0.201E-02
DAV: 18 -0.907189056088E+02 -0.18606E-03 -0.35791E-05 632 0.442E-02 0.102E-02
DAV: 19 -0.907189987596E+02 -0.93151E-04 -0.28107E-05 546 0.285E-02 0.443E-03
DAV: 20 -0.907190669699E+02 -0.68210E-04 -0.61139E-06 445 0.146E-02 0.200E-03
DAV: 21 -0.907190984161E+02 -0.31446E-04 -0.50901E-06 434 0.114E-02 0.194E-03
DAV: 22 -0.907191085939E+02 -0.10178E-04 -0.12412E-06 445 0.559E-03 0.127E-03
DAV: 23 -0.907191118410E+02 -0.32471E-05 -0.11991E-06 437 0.755E-03
1 F= -.90719112E+02 E0= -.90724079E+02 d E =0.149008E-01