./iterations/neb0_image05_iter206_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 0.367563429493E+03 0.36756E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.494916262210E+01 -0.36261E+03 -0.34820E+03 840 0.195E+02
DAV: 3 -0.955654427330E+02 -0.10051E+03 -0.10017E+03 701 0.117E+02
DAV: 4 -0.999474241850E+02 -0.43820E+01 -0.43725E+01 704 0.272E+01
DAV: 5 -0.100032558085E+03 -0.85134E-01 -0.85091E-01 733 0.339E+00 0.221E+01
DAV: 6 -0.915485680886E+02 0.84840E+01 -0.30648E+01 688 0.299E+01 0.116E+01
DAV: 7 -0.907548275151E+02 0.79374E+00 -0.17860E+00 720 0.634E+00 0.481E+00
DAV: 8 -0.903837654298E+02 0.37106E+00 -0.53155E-01 704 0.426E+00 0.169E+00
DAV: 9 -0.902976401119E+02 0.86125E-01 -0.14084E-01 712 0.173E+00 0.443E-01
DAV: 10 -0.902909334674E+02 0.67066E-02 -0.39439E-02 773 0.121E+00 0.305E-01
DAV: 11 -0.902938449276E+02 -0.29115E-02 -0.63295E-03 616 0.498E-01 0.152E-01
DAV: 12 -0.902963500849E+02 -0.25052E-02 -0.55727E-03 618 0.475E-01 0.109E-01
DAV: 13 -0.902995165036E+02 -0.31664E-02 -0.11494E-03 741 0.242E-01 0.789E-02
DAV: 14 -0.903027205661E+02 -0.32041E-02 -0.15204E-03 636 0.188E-01 0.530E-02
DAV: 15 -0.903056663686E+02 -0.29458E-02 -0.77908E-04 768 0.192E-01 0.408E-02
DAV: 16 -0.903068449297E+02 -0.11786E-02 -0.45268E-04 696 0.110E-01 0.337E-02
DAV: 17 -0.903074872309E+02 -0.64230E-03 -0.18825E-04 864 0.925E-02 0.169E-02
DAV: 18 -0.903076646773E+02 -0.17745E-03 -0.78379E-05 680 0.475E-02 0.131E-02
DAV: 19 -0.903078893251E+02 -0.22465E-03 -0.30998E-05 561 0.259E-02 0.108E-02
DAV: 20 -0.903079384962E+02 -0.49171E-04 -0.53983E-06 488 0.183E-02 0.730E-03
DAV: 21 -0.903079657493E+02 -0.27253E-04 -0.19308E-05 501 0.264E-02 0.397E-03
DAV: 22 -0.903079790285E+02 -0.13279E-04 -0.32652E-06 455 0.123E-02 0.294E-03
DAV: 23 -0.903079816673E+02 -0.26388E-05 -0.11061E-06 472 0.558E-03
1 F= -.90307982E+02 E0= -.90315914E+02 d E =0.237985E-01