./iterations/neb0_image02_iter81_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 0.368214390921E+03 0.36821E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.468141727272E+01 -0.36353E+03 -0.34880E+03 834 0.195E+02
DAV: 3 -0.957068758410E+02 -0.10039E+03 -0.10006E+03 688 0.117E+02
DAV: 4 -0.100188359268E+03 -0.44815E+01 -0.44711E+01 696 0.279E+01
DAV: 5 -0.100275404451E+03 -0.87045E-01 -0.87001E-01 736 0.348E+00 0.222E+01
DAV: 6 -0.916594802004E+02 0.86159E+01 -0.30998E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908347268463E+02 0.82475E+00 -0.18280E+00 704 0.633E+00 0.484E+00
DAV: 8 -0.904465220747E+02 0.38820E+00 -0.56075E-01 696 0.427E+00 0.169E+00
DAV: 9 -0.903560653587E+02 0.90457E-01 -0.13913E-01 704 0.165E+00 0.433E-01
DAV: 10 -0.903496188839E+02 0.64465E-02 -0.48533E-02 704 0.128E+00 0.325E-01
DAV: 11 -0.903533091464E+02 -0.36903E-02 -0.74161E-03 608 0.494E-01 0.146E-01
DAV: 12 -0.903567614086E+02 -0.34523E-02 -0.73814E-03 618 0.473E-01 0.134E-01
DAV: 13 -0.903594093436E+02 -0.26479E-02 -0.15260E-03 920 0.331E-01 0.794E-02
DAV: 14 -0.903625310396E+02 -0.31217E-02 -0.14170E-03 637 0.181E-01 0.578E-02
DAV: 15 -0.903648730279E+02 -0.23420E-02 -0.39200E-04 669 0.111E-01 0.443E-02
DAV: 16 -0.903663142282E+02 -0.14412E-02 -0.67257E-04 656 0.147E-01 0.326E-02
DAV: 17 -0.903672019855E+02 -0.88776E-03 -0.16923E-04 789 0.886E-02 0.196E-02
DAV: 18 -0.903673580977E+02 -0.15611E-03 -0.44607E-05 704 0.349E-02 0.976E-03
DAV: 19 -0.903675483369E+02 -0.19024E-03 -0.32000E-05 535 0.282E-02 0.373E-03
DAV: 20 -0.903675896360E+02 -0.41299E-04 -0.38133E-06 480 0.100E-02 0.470E-03
DAV: 21 -0.903676359702E+02 -0.46334E-04 -0.61156E-06 417 0.140E-02 0.315E-03
DAV: 22 -0.903676484556E+02 -0.12485E-04 -0.39805E-06 477 0.105E-02 0.224E-03
DAV: 23 -0.903676499720E+02 -0.15163E-05 -0.13305E-06 536 0.712E-03
1 F= -.90367650E+02 E0= -.90373300E+02 d E =0.169512E-01