./iterations/neb0_image08_iter42_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 0.376133848682E+03 0.37613E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.376911398802E+01 -0.37236E+03 -0.35859E+03 869 0.196E+02
DAV: 3 -0.966934823362E+02 -0.10046E+03 -0.10013E+03 680 0.117E+02
DAV: 4 -0.101086282833E+03 -0.43928E+01 -0.43826E+01 696 0.280E+01
DAV: 5 -0.101171739571E+03 -0.85457E-01 -0.85420E-01 728 0.353E+00 0.227E+01
DAV: 6 -0.925299123967E+02 0.86418E+01 -0.30739E+01 690 0.302E+01 0.119E+01
DAV: 7 -0.916575409530E+02 0.87237E+00 -0.17014E+00 728 0.617E+00 0.481E+00
DAV: 8 -0.912786191374E+02 0.37892E+00 -0.55538E-01 696 0.402E+00 0.164E+00
DAV: 9 -0.911942940863E+02 0.84325E-01 -0.13080E-01 704 0.158E+00 0.430E-01
DAV: 10 -0.911848332711E+02 0.94608E-02 -0.43755E-02 760 0.108E+00 0.299E-01
DAV: 11 -0.911898982172E+02 -0.50649E-02 -0.14783E-02 605 0.641E-01 0.175E-01
DAV: 12 -0.911920189806E+02 -0.21208E-02 -0.24518E-03 650 0.261E-01 0.102E-01
DAV: 13 -0.911963025802E+02 -0.42836E-02 -0.26045E-03 639 0.259E-01 0.588E-02
DAV: 14 -0.911982720443E+02 -0.19695E-02 -0.53550E-04 688 0.173E-01 0.362E-02
DAV: 15 -0.912013164209E+02 -0.30444E-02 -0.62409E-04 625 0.120E-01 0.338E-02
DAV: 16 -0.912019345547E+02 -0.61813E-03 -0.74544E-05 752 0.653E-02 0.165E-02
DAV: 17 -0.912028749535E+02 -0.94040E-03 -0.18738E-04 628 0.742E-02 0.152E-02
DAV: 18 -0.912031593189E+02 -0.28437E-03 -0.23916E-05 544 0.319E-02 0.122E-02
DAV: 19 -0.912032938092E+02 -0.13449E-03 -0.38703E-05 640 0.352E-02 0.482E-03
DAV: 20 -0.912033329962E+02 -0.39187E-04 -0.44084E-06 504 0.160E-02 0.179E-03
DAV: 21 -0.912033551714E+02 -0.22175E-04 -0.25195E-06 410 0.700E-03 0.160E-03
DAV: 22 -0.912033656187E+02 -0.10447E-04 -0.12795E-06 449 0.386E-03 0.111E-03
DAV: 23 -0.912033669696E+02 -0.13509E-05 -0.33940E-07 496 0.264E-03
1 F= -.91203367E+02 E0= -.91208604E+02 d E =0.157116E-01