./iterations/neb0_image04_iter5_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 0.361090557702E+03 0.36109E+03 -0.14209E+04 624 0.799E+02
DAV: 2 0.617249094014E+01 -0.35492E+03 -0.34234E+03 847 0.193E+02
DAV: 3 -0.920076498157E+02 -0.98180E+02 -0.97692E+02 712 0.115E+02
DAV: 4 -0.964225196544E+02 -0.44149E+01 -0.43987E+01 712 0.266E+01
DAV: 5 -0.965159219146E+02 -0.93402E-01 -0.93363E-01 736 0.339E+00 0.216E+01
DAV: 6 -0.881037534429E+02 0.84122E+01 -0.31295E+01 685 0.303E+01 0.113E+01
DAV: 7 -0.873075106578E+02 0.79624E+00 -0.16139E+00 728 0.703E+00 0.484E+00
DAV: 8 -0.869312247028E+02 0.37629E+00 -0.72432E-01 712 0.464E+00 0.167E+00
DAV: 9 -0.868560248692E+02 0.75200E-01 -0.13771E-01 720 0.179E+00 0.504E-01
DAV: 10 -0.868479522152E+02 0.80727E-02 -0.30272E-02 704 0.946E-01 0.286E-01
DAV: 11 -0.868491058566E+02 -0.11536E-02 -0.71453E-03 648 0.499E-01 0.155E-01
DAV: 12 -0.868519335148E+02 -0.28277E-02 -0.34798E-03 676 0.329E-01 0.103E-01
DAV: 13 -0.868566549535E+02 -0.47214E-02 -0.18220E-03 636 0.255E-01 0.818E-02
DAV: 14 -0.868598752051E+02 -0.32203E-02 -0.13977E-03 663 0.175E-01 0.401E-02
DAV: 15 -0.868620865520E+02 -0.22113E-02 -0.32559E-04 685 0.103E-01 0.266E-02
DAV: 16 -0.868633670618E+02 -0.12805E-02 -0.12922E-04 736 0.566E-02 0.163E-02
DAV: 17 -0.868639982815E+02 -0.63122E-03 -0.83178E-05 773 0.549E-02 0.124E-02
DAV: 18 -0.868643951941E+02 -0.39691E-03 -0.67925E-05 658 0.492E-02 0.109E-02
DAV: 19 -0.868644942757E+02 -0.99082E-04 -0.16565E-05 504 0.276E-02 0.609E-03
DAV: 20 -0.868645972221E+02 -0.10295E-03 -0.33066E-05 537 0.279E-02 0.658E-03
DAV: 21 -0.868646077357E+02 -0.10514E-04 -0.29610E-06 504 0.137E-02 0.305E-03
DAV: 22 -0.868646239847E+02 -0.16249E-04 -0.56611E-06 394 0.130E-02 0.165E-03
DAV: 23 -0.868646274382E+02 -0.34535E-05 -0.87655E-07 488 0.447E-03
1 F= -.86864627E+02 E0= -.86868495E+02 d E =0.116034E-01