./iterations/neb0_image02_iter230_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 0.366237420870E+03 0.36624E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.362085655280E+00 -0.36588E+03 -0.35547E+03 877 0.195E+02
DAV: 3 -0.956709001076E+02 -0.96033E+02 -0.95702E+02 632 0.115E+02
DAV: 4 -0.100227755462E+03 -0.45569E+01 -0.45463E+01 704 0.294E+01
DAV: 5 -0.100318473077E+03 -0.90718E-01 -0.90684E-01 736 0.373E+00 0.222E+01
DAV: 6 -0.916715191523E+02 0.86470E+01 -0.30938E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908543304891E+02 0.81719E+00 -0.18245E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904735862821E+02 0.38074E+00 -0.55547E-01 696 0.432E+00 0.169E+00
DAV: 9 -0.903880942209E+02 0.85492E-01 -0.13555E-01 720 0.167E+00 0.428E-01
DAV: 10 -0.903831962324E+02 0.48980E-02 -0.48619E-02 704 0.125E+00 0.329E-01
DAV: 11 -0.903869377573E+02 -0.37415E-02 -0.78849E-03 624 0.605E-01 0.117E-01
DAV: 12 -0.903898280827E+02 -0.28903E-02 -0.62481E-03 640 0.394E-01 0.131E-01
DAV: 13 -0.903925598083E+02 -0.27317E-02 -0.18354E-03 856 0.330E-01 0.823E-02
DAV: 14 -0.903956929681E+02 -0.31332E-02 -0.12709E-03 629 0.164E-01 0.684E-02
DAV: 15 -0.903975377158E+02 -0.18447E-02 -0.32813E-04 696 0.108E-01 0.484E-02
DAV: 16 -0.903989873383E+02 -0.14496E-02 -0.92948E-04 672 0.175E-01 0.396E-02
DAV: 17 -0.903995940988E+02 -0.60676E-03 -0.14921E-04 808 0.854E-02 0.230E-02
DAV: 18 -0.903998627968E+02 -0.26870E-03 -0.68568E-05 672 0.408E-02 0.768E-03
DAV: 19 -0.904000606154E+02 -0.19782E-03 -0.32050E-05 582 0.266E-02 0.556E-03
DAV: 20 -0.904000959574E+02 -0.35342E-04 -0.29342E-06 504 0.117E-02 0.477E-03
DAV: 21 -0.904001526541E+02 -0.56697E-04 -0.11956E-05 409 0.178E-02 0.316E-03
DAV: 22 -0.904001572596E+02 -0.46055E-05 -0.31229E-06 504 0.105E-02
1 F= -.90400157E+02 E0= -.90407116E+02 d E =0.208774E-01