iterations/neb0_image03_iter173_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 0.364119058458E+03 0.36412E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.222061152504E+00 -0.36390E+03 -0.35379E+03 861 0.195E+02
DAV: 3 -0.960890118154E+02 -0.96311E+02 -0.96000E+02 672 0.115E+02
DAV: 4 -0.100250596519E+03 -0.41616E+01 -0.41508E+01 712 0.275E+01
DAV: 5 -0.100331863340E+03 -0.81267E-01 -0.81231E-01 736 0.346E+00 0.222E+01
DAV: 6 -0.917170493824E+02 0.86148E+01 -0.30949E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908754877385E+02 0.84156E+00 -0.18031E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904775446409E+02 0.39794E+00 -0.54747E-01 704 0.425E+00 0.169E+00
DAV: 9 -0.903810466166E+02 0.96498E-01 -0.13564E-01 704 0.192E+00 0.441E-01
DAV: 10 -0.903733730087E+02 0.76736E-02 -0.43047E-02 712 0.111E+00 0.337E-01
DAV: 11 -0.903788002360E+02 -0.54272E-02 -0.16095E-02 605 0.819E-01 0.201E-01
DAV: 12 -0.903793322606E+02 -0.53202E-03 -0.51804E-03 664 0.473E-01 0.125E-01
DAV: 13 -0.903836357234E+02 -0.43035E-02 -0.44952E-03 679 0.396E-01 0.960E-02
DAV: 14 -0.903865337740E+02 -0.28981E-02 -0.73660E-04 685 0.165E-01 0.544E-02
DAV: 15 -0.903892002656E+02 -0.26665E-02 -0.70675E-04 650 0.139E-01 0.230E-02
DAV: 16 -0.903909351595E+02 -0.17349E-02 -0.18153E-04 680 0.667E-02 0.204E-02
DAV: 17 -0.903918709286E+02 -0.93577E-03 -0.10003E-04 693 0.622E-02 0.110E-02
DAV: 18 -0.903924761582E+02 -0.60523E-03 -0.94547E-05 655 0.484E-02 0.125E-02
DAV: 19 -0.903926020903E+02 -0.12593E-03 -0.11185E-05 504 0.248E-02 0.735E-03
DAV: 20 -0.903927162431E+02 -0.11415E-03 -0.40720E-05 534 0.357E-02 0.687E-03
DAV: 21 -0.903927528367E+02 -0.36594E-04 -0.40854E-06 488 0.142E-02 0.482E-03
DAV: 22 -0.903927690832E+02 -0.16247E-04 -0.51640E-06 456 0.124E-02 0.111E-03
DAV: 23 -0.903927744466E+02 -0.53634E-05 -0.13005E-06 488 0.610E-03
1 F= -.90392774E+02 E0= -.90401312E+02 d E =0.256120E-01