./iterations/neb0_image06_iter79_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 0.376408357583E+03 0.37641E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.372359319148E+01 -0.37268E+03 -0.36035E+03 877 0.195E+02
DAV: 3 -0.956864812603E+02 -0.99410E+02 -0.99096E+02 656 0.117E+02
DAV: 4 -0.100202918323E+03 -0.45164E+01 -0.45055E+01 704 0.289E+01
DAV: 5 -0.100294649664E+03 -0.91731E-01 -0.91698E-01 720 0.367E+00 0.227E+01
DAV: 6 -0.916205499136E+02 0.86741E+01 -0.30904E+01 677 0.307E+01 0.118E+01
DAV: 7 -0.907707584730E+02 0.84979E+00 -0.17051E+00 720 0.626E+00 0.482E+00
DAV: 8 -0.903849106347E+02 0.38585E+00 -0.52762E-01 712 0.402E+00 0.166E+00
DAV: 9 -0.902935481973E+02 0.91362E-01 -0.13186E-01 720 0.162E+00 0.426E-01
DAV: 10 -0.902837639655E+02 0.97842E-02 -0.39736E-02 728 0.101E+00 0.300E-01
DAV: 11 -0.902881801289E+02 -0.44162E-02 -0.11827E-02 610 0.695E-01 0.167E-01
DAV: 12 -0.902895851353E+02 -0.14050E-02 -0.26612E-03 664 0.308E-01 0.113E-01
DAV: 13 -0.902942435650E+02 -0.46584E-02 -0.31035E-03 624 0.334E-01 0.990E-02
DAV: 14 -0.902959316485E+02 -0.16881E-02 -0.54564E-04 720 0.158E-01 0.559E-02
DAV: 15 -0.902991571540E+02 -0.32255E-02 -0.10407E-03 634 0.193E-01 0.367E-02
DAV: 16 -0.903008828356E+02 -0.17257E-02 -0.18755E-04 744 0.900E-02 0.290E-02
DAV: 17 -0.903014481881E+02 -0.56535E-03 -0.11783E-04 696 0.680E-02 0.160E-02
DAV: 18 -0.903022760072E+02 -0.82782E-03 -0.15924E-04 684 0.761E-02 0.148E-02
DAV: 19 -0.903023632301E+02 -0.87223E-04 -0.12975E-05 512 0.300E-02 0.115E-02
DAV: 20 -0.903024649970E+02 -0.10177E-03 -0.48479E-05 615 0.426E-02 0.701E-03
DAV: 21 -0.903025017824E+02 -0.36785E-04 -0.52453E-06 496 0.181E-02 0.520E-03
DAV: 22 -0.903025347000E+02 -0.32918E-04 -0.43881E-06 406 0.979E-03 0.285E-03
DAV: 23 -0.903025482897E+02 -0.13590E-04 -0.35920E-06 458 0.109E-02 0.140E-03
DAV: 24 -0.903025506945E+02 -0.24048E-05 -0.11892E-06 492 0.535E-03
1 F= -.90302551E+02 E0= -.90311353E+02 d E =0.264072E-01