./iterations/neb0_image01_iter278_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 0.362240447285E+03 0.36224E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.294760499585E+01 -0.35929E+03 -0.34705E+03 828 0.195E+02
DAV: 3 -0.956193430290E+02 -0.98567E+02 -0.98225E+02 669 0.115E+02
DAV: 4 -0.100185476547E+03 -0.45661E+01 -0.45535E+01 696 0.283E+01
DAV: 5 -0.100273798182E+03 -0.88322E-01 -0.88279E-01 728 0.355E+00 0.221E+01
DAV: 6 -0.916862039188E+02 0.85876E+01 -0.30990E+01 685 0.299E+01 0.116E+01
DAV: 7 -0.908909032815E+02 0.79530E+00 -0.18462E+00 720 0.640E+00 0.483E+00
DAV: 8 -0.905135931575E+02 0.37731E+00 -0.55099E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.904273586185E+02 0.86235E-01 -0.13726E-01 720 0.165E+00 0.427E-01
DAV: 10 -0.904220199677E+02 0.53387E-02 -0.44441E-02 717 0.124E+00 0.312E-01
DAV: 11 -0.904257211645E+02 -0.37012E-02 -0.63666E-03 608 0.470E-01 0.146E-01
DAV: 12 -0.904292056513E+02 -0.34845E-02 -0.69745E-03 620 0.500E-01 0.126E-01
DAV: 13 -0.904319194976E+02 -0.27138E-02 -0.13471E-03 784 0.295E-01 0.770E-02
DAV: 14 -0.904350373426E+02 -0.31178E-02 -0.16317E-03 645 0.193E-01 0.610E-02
DAV: 15 -0.904371531402E+02 -0.21158E-02 -0.43338E-04 744 0.139E-01 0.444E-02
DAV: 16 -0.904384193335E+02 -0.12662E-02 -0.73834E-04 672 0.154E-01 0.365E-02
DAV: 17 -0.904392725876E+02 -0.85325E-03 -0.18628E-04 845 0.935E-02 0.215E-02
DAV: 18 -0.904394111197E+02 -0.13853E-03 -0.42112E-05 720 0.326E-02 0.142E-02
DAV: 19 -0.904396629915E+02 -0.25187E-03 -0.66058E-05 625 0.435E-02 0.644E-03
DAV: 20 -0.904396974644E+02 -0.34473E-04 -0.48061E-06 488 0.144E-02 0.557E-03
DAV: 21 -0.904397409745E+02 -0.43510E-04 -0.76108E-06 420 0.161E-02 0.220E-03
DAV: 22 -0.904397550303E+02 -0.14056E-04 -0.27861E-06 480 0.757E-03 0.180E-03
DAV: 23 -0.904397580888E+02 -0.30585E-05 -0.63109E-07 520 0.421E-03
1 F= -.90439758E+02 E0= -.90444868E+02 d E =0.153284E-01