./iterations/neb0_image05_iter51_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 0.373148855068E+03 0.37315E+03 -0.14311E+04 632 0.799E+02
DAV: 2 0.417124543888E+01 -0.36898E+03 -0.35703E+03 874 0.195E+02
DAV: 3 -0.937114307555E+02 -0.97883E+02 -0.97537E+02 640 0.116E+02
DAV: 4 -0.984294794955E+02 -0.47180E+01 -0.47042E+01 728 0.299E+01
DAV: 5 -0.985303857289E+02 -0.10091E+00 -0.10087E+00 712 0.389E+00 0.219E+01
DAV: 6 -0.902812541341E+02 0.82491E+01 -0.28813E+01 704 0.290E+01 0.113E+01
DAV: 7 -0.894359691447E+02 0.84528E+00 -0.17453E+00 720 0.650E+00 0.465E+00
DAV: 8 -0.890576419152E+02 0.37833E+00 -0.59939E-01 696 0.429E+00 0.157E+00
DAV: 9 -0.889718021490E+02 0.85840E-01 -0.12810E-01 712 0.159E+00 0.435E-01
DAV: 10 -0.889610450918E+02 0.10757E-01 -0.37667E-02 733 0.104E+00 0.304E-01
DAV: 11 -0.889633787411E+02 -0.23336E-02 -0.87711E-03 616 0.536E-01 0.123E-01
DAV: 12 -0.889658915929E+02 -0.25129E-02 -0.23741E-03 666 0.261E-01 0.972E-02
DAV: 13 -0.889710793321E+02 -0.51877E-02 -0.15225E-03 639 0.241E-01 0.711E-02
DAV: 14 -0.889736823064E+02 -0.26030E-02 -0.80308E-04 682 0.150E-01 0.317E-02
DAV: 15 -0.889764135753E+02 -0.27313E-02 -0.45840E-04 645 0.110E-01 0.284E-02
DAV: 16 -0.889775713289E+02 -0.11578E-02 -0.10037E-04 765 0.632E-02 0.129E-02
DAV: 17 -0.889785989597E+02 -0.10276E-02 -0.13690E-04 647 0.542E-02 0.122E-02
DAV: 18 -0.889788483086E+02 -0.24935E-03 -0.28469E-05 568 0.367E-02 0.778E-03
DAV: 19 -0.889789828642E+02 -0.13456E-03 -0.34049E-05 586 0.362E-02 0.824E-03
DAV: 20 -0.889790528991E+02 -0.70035E-04 -0.10902E-05 460 0.221E-02 0.617E-03
DAV: 21 -0.889790749192E+02 -0.22020E-04 -0.65190E-06 472 0.155E-02 0.248E-03
DAV: 22 -0.889790822756E+02 -0.73563E-05 -0.34867E-06 464 0.109E-02
1 F= -.88979082E+02 E0= -.88982955E+02 d E =0.116188E-01