./iterations/neb0_image03_iter116_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 0.366734694825E+03 0.36673E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.223824202678E+01 -0.36450E+03 -0.35321E+03 861 0.195E+02
DAV: 3 -0.956980262998E+02 -0.97936E+02 -0.97628E+02 661 0.116E+02
DAV: 4 -0.100192127961E+03 -0.44941E+01 -0.44845E+01 712 0.285E+01
DAV: 5 -0.100281995319E+03 -0.89867E-01 -0.89832E-01 736 0.358E+00 0.222E+01
DAV: 6 -0.916840755830E+02 0.85979E+01 -0.30674E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.908395505915E+02 0.84452E+00 -0.18255E+00 704 0.640E+00 0.483E+00
DAV: 8 -0.904361872607E+02 0.40336E+00 -0.56496E-01 704 0.432E+00 0.166E+00
DAV: 9 -0.903409779116E+02 0.95209E-01 -0.12985E-01 688 0.185E+00 0.455E-01
DAV: 10 -0.903325357790E+02 0.84421E-02 -0.39523E-02 720 0.101E+00 0.336E-01
DAV: 11 -0.903352073530E+02 -0.26716E-02 -0.76731E-03 733 0.630E-01 0.140E-01
DAV: 12 -0.903372848613E+02 -0.20775E-02 -0.37632E-03 626 0.337E-01 0.117E-01
DAV: 13 -0.903422021150E+02 -0.49173E-02 -0.34663E-03 672 0.356E-01 0.869E-02
DAV: 14 -0.903463575845E+02 -0.41555E-02 -0.89230E-04 658 0.182E-01 0.487E-02
DAV: 15 -0.903483398616E+02 -0.19823E-02 -0.54301E-04 736 0.128E-01 0.272E-02
DAV: 16 -0.903497924269E+02 -0.14526E-02 -0.13735E-04 693 0.739E-02 0.113E-02
DAV: 17 -0.903508270522E+02 -0.10346E-02 -0.12454E-04 664 0.420E-02 0.816E-03
DAV: 18 -0.903511242603E+02 -0.29721E-03 -0.35205E-05 600 0.274E-02 0.485E-03
DAV: 19 -0.903512137148E+02 -0.89454E-04 -0.77796E-06 464 0.129E-02 0.426E-03
DAV: 20 -0.903512566365E+02 -0.42922E-04 -0.58084E-06 442 0.116E-02 0.173E-03
DAV: 21 -0.903512666136E+02 -0.99771E-05 -0.23938E-06 496 0.803E-03
1 F= -.90351267E+02 E0= -.90359804E+02 d E =0.256131E-01