./iterations/neb0_image03_iter262_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 0.363443751571E+03 0.36344E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.576462221075E+00 -0.36287E+03 -0.35231E+03 853 0.195E+02
DAV: 3 -0.961420452539E+02 -0.96719E+02 -0.96420E+02 669 0.115E+02
DAV: 4 -0.100334933892E+03 -0.41929E+01 -0.41834E+01 712 0.275E+01
DAV: 5 -0.100416531186E+03 -0.81597E-01 -0.81572E-01 744 0.345E+00 0.223E+01
DAV: 6 -0.917323217494E+02 0.86842E+01 -0.31363E+01 680 0.300E+01 0.117E+01
DAV: 7 -0.908857793179E+02 0.84654E+00 -0.17927E+00 720 0.636E+00 0.485E+00
DAV: 8 -0.904912814352E+02 0.39450E+00 -0.56203E-01 696 0.430E+00 0.170E+00
DAV: 9 -0.903994647503E+02 0.91817E-01 -0.13535E-01 712 0.167E+00 0.439E-01
DAV: 10 -0.903930604314E+02 0.64043E-02 -0.49527E-02 712 0.126E+00 0.339E-01
DAV: 11 -0.903970006624E+02 -0.39402E-02 -0.74785E-03 624 0.604E-01 0.128E-01
DAV: 12 -0.904006798518E+02 -0.36792E-02 -0.69399E-03 624 0.399E-01 0.133E-01
DAV: 13 -0.904044563195E+02 -0.37765E-02 -0.18827E-03 856 0.338E-01 0.907E-02
DAV: 14 -0.904075880716E+02 -0.31318E-02 -0.13068E-03 645 0.164E-01 0.655E-02
DAV: 15 -0.904098651047E+02 -0.22770E-02 -0.44013E-04 677 0.118E-01 0.352E-02
DAV: 16 -0.904112757493E+02 -0.14106E-02 -0.49747E-04 672 0.118E-01 0.318E-02
DAV: 17 -0.904120446776E+02 -0.76893E-03 -0.20301E-04 741 0.938E-02 0.123E-02
DAV: 18 -0.904123685528E+02 -0.32388E-03 -0.66624E-05 658 0.408E-02 0.110E-02
DAV: 19 -0.904124550824E+02 -0.86530E-04 -0.11265E-05 496 0.202E-02 0.508E-03
DAV: 20 -0.904125270177E+02 -0.71935E-04 -0.12623E-05 429 0.191E-02 0.228E-03
DAV: 21 -0.904125657183E+02 -0.38701E-04 -0.63432E-06 477 0.101E-02 0.315E-03
DAV: 22 -0.904125722289E+02 -0.65106E-05 -0.14928E-06 544 0.666E-03
1 F= -.90412572E+02 E0= -.90419995E+02 d E =0.222679E-01