./neb0_image00_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 0.364922238386E+03 0.36492E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.264056622525E+01 -0.36228E+03 -0.35006E+03 839 0.196E+02
DAV: 3 -0.957067508036E+02 -0.98347E+02 -0.98011E+02 672 0.116E+02
DAV: 4 -0.100256910623E+03 -0.45502E+01 -0.45386E+01 704 0.283E+01
DAV: 5 -0.100346704030E+03 -0.89793E-01 -0.89750E-01 736 0.356E+00 0.222E+01
DAV: 6 -0.916887159304E+02 0.86580E+01 -0.31116E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908783479475E+02 0.81037E+00 -0.18442E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.904996647732E+02 0.37868E+00 -0.55268E-01 712 0.428E+00 0.168E+00
DAV: 9 -0.904169405080E+02 0.82724E-01 -0.13777E-01 720 0.168E+00 0.427E-01
DAV: 10 -0.904125482151E+02 0.43923E-02 -0.46094E-02 728 0.127E+00 0.319E-01
DAV: 11 -0.904165272778E+02 -0.39791E-02 -0.69784E-03 608 0.514E-01 0.135E-01
DAV: 12 -0.904200872260E+02 -0.35599E-02 -0.64795E-03 632 0.461E-01 0.123E-01
DAV: 13 -0.904228594737E+02 -0.27722E-02 -0.12415E-03 848 0.291E-01 0.756E-02
DAV: 14 -0.904257557575E+02 -0.28963E-02 -0.14166E-03 628 0.194E-01 0.616E-02
DAV: 15 -0.904275464175E+02 -0.17907E-02 -0.40343E-04 688 0.125E-01 0.490E-02
DAV: 16 -0.904286059638E+02 -0.10595E-02 -0.70036E-04 664 0.158E-01 0.304E-02
DAV: 17 -0.904296147166E+02 -0.10088E-02 -0.16455E-04 655 0.825E-02 0.249E-02
DAV: 18 -0.904298059917E+02 -0.19128E-03 -0.38964E-05 696 0.326E-02 0.160E-02
DAV: 19 -0.904300792352E+02 -0.27324E-03 -0.75558E-05 625 0.468E-02 0.911E-03
DAV: 20 -0.904301002908E+02 -0.21056E-04 -0.10788E-05 488 0.262E-02 0.674E-03
DAV: 21 -0.904301248244E+02 -0.24534E-04 -0.10752E-05 434 0.195E-02 0.653E-03
DAV: 22 -0.904301596797E+02 -0.34855E-04 -0.65960E-06 423 0.140E-02 0.456E-03
DAV: 23 -0.904301653099E+02 -0.56302E-05 -0.52165E-06 480 0.139E-02
1 F= -.90430165E+02 E0= -.90436679E+02 d E =0.195414E-01