iterations/neb0_image05_iter296_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 0.367874733521E+03 0.36787E+03 -0.14309E+04 624 0.799E+02
DAV: 2 0.479372428657E+01 -0.36308E+03 -0.34931E+03 837 0.196E+02
DAV: 3 -0.952298567602E+02 -0.10002E+03 -0.99678E+02 648 0.117E+02
DAV: 4 -0.100098739106E+03 -0.48689E+01 -0.48567E+01 720 0.300E+01
DAV: 5 -0.100195810342E+03 -0.97071E-01 -0.97031E-01 728 0.379E+00 0.222E+01
DAV: 6 -0.915589476011E+02 0.86369E+01 -0.31122E+01 688 0.301E+01 0.117E+01
DAV: 7 -0.907447923139E+02 0.81416E+00 -0.17768E+00 720 0.650E+00 0.483E+00
DAV: 8 -0.903656290326E+02 0.37916E+00 -0.51700E-01 720 0.432E+00 0.178E+00
DAV: 9 -0.902795670393E+02 0.86062E-01 -0.13677E-01 720 0.202E+00 0.564E-01
DAV: 10 -0.902676373211E+02 0.11930E-01 -0.25159E-02 728 0.919E-01 0.330E-01
DAV: 11 -0.902685445334E+02 -0.90721E-03 -0.17070E-02 704 0.697E-01 0.218E-01
DAV: 12 -0.902717457051E+02 -0.32012E-02 -0.52019E-03 664 0.438E-01 0.114E-01
DAV: 13 -0.902744400453E+02 -0.26943E-02 -0.16169E-03 636 0.233E-01 0.109E-01
DAV: 14 -0.902779411699E+02 -0.35011E-02 -0.18023E-03 753 0.277E-01 0.501E-02
DAV: 15 -0.902807880826E+02 -0.28469E-02 -0.58218E-04 653 0.120E-01 0.424E-02
DAV: 16 -0.902835884043E+02 -0.28003E-02 -0.57052E-04 701 0.137E-01 0.233E-02
DAV: 17 -0.902845266650E+02 -0.93826E-03 -0.11824E-04 696 0.554E-02 0.202E-02
DAV: 18 -0.902851568280E+02 -0.63016E-03 -0.11563E-04 649 0.615E-02 0.827E-03
DAV: 19 -0.902853859425E+02 -0.22911E-03 -0.36041E-05 624 0.294E-02 0.782E-03
DAV: 20 -0.902854673632E+02 -0.81421E-04 -0.86591E-06 466 0.166E-02 0.398E-03
DAV: 21 -0.902855063759E+02 -0.39013E-04 -0.12160E-05 472 0.196E-02 0.343E-03
DAV: 22 -0.902855170086E+02 -0.10633E-04 -0.25963E-06 442 0.864E-03 0.260E-03
DAV: 23 -0.902855186159E+02 -0.16073E-05 -0.18839E-06 485 0.910E-03
1 F= -.90285519E+02 E0= -.90293829E+02 d E =0.249315E-01