./iterations/neb0_image02_iter294_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 0.366233380747E+03 0.36623E+03 -0.14303E+04 624 0.799E+02
DAV: 2 0.158342898095E+01 -0.36465E+03 -0.35283E+03 861 0.196E+02
DAV: 3 -0.955656422375E+02 -0.97149E+02 -0.96814E+02 632 0.116E+02
DAV: 4 -0.100290182586E+03 -0.47245E+01 -0.47136E+01 704 0.298E+01
DAV: 5 -0.100383904232E+03 -0.93722E-01 -0.93684E-01 720 0.377E+00 0.223E+01
DAV: 6 -0.916827812104E+02 0.87011E+01 -0.30883E+01 680 0.299E+01 0.118E+01
DAV: 7 -0.908496244584E+02 0.83316E+00 -0.18166E+00 712 0.633E+00 0.485E+00
DAV: 8 -0.904705038588E+02 0.37912E+00 -0.54926E-01 704 0.427E+00 0.169E+00
DAV: 9 -0.903879267739E+02 0.82577E-01 -0.13312E-01 720 0.171E+00 0.425E-01
DAV: 10 -0.903842100673E+02 0.37167E-02 -0.48151E-02 712 0.124E+00 0.329E-01
DAV: 11 -0.903884826770E+02 -0.42726E-02 -0.97809E-03 621 0.677E-01 0.113E-01
DAV: 12 -0.903910839245E+02 -0.26012E-02 -0.55155E-03 640 0.369E-01 0.128E-01
DAV: 13 -0.903937411895E+02 -0.26573E-02 -0.18126E-03 864 0.319E-01 0.807E-02
DAV: 14 -0.903969201731E+02 -0.31790E-02 -0.13606E-03 631 0.187E-01 0.740E-02
DAV: 15 -0.903983711857E+02 -0.14510E-02 -0.27165E-04 816 0.116E-01 0.459E-02
DAV: 16 -0.903997782803E+02 -0.14071E-02 -0.83776E-04 656 0.173E-01 0.363E-02
DAV: 17 -0.904003755117E+02 -0.59723E-03 -0.11811E-04 752 0.751E-02 0.273E-02
DAV: 18 -0.904005350468E+02 -0.15954E-03 -0.30339E-05 568 0.307E-02 0.180E-02
DAV: 19 -0.904008471502E+02 -0.31210E-03 -0.84547E-05 624 0.487E-02 0.743E-03
DAV: 20 -0.904008727681E+02 -0.25618E-04 -0.10061E-05 520 0.211E-02 0.675E-03
DAV: 21 -0.904009105298E+02 -0.37762E-04 -0.12989E-05 412 0.232E-02 0.588E-03
DAV: 22 -0.904009376242E+02 -0.27094E-04 -0.53367E-06 469 0.150E-02 0.418E-03
DAV: 23 -0.904009414273E+02 -0.38031E-05 -0.40707E-06 512 0.113E-02
1 F= -.90400941E+02 E0= -.90407314E+02 d E =0.191180E-01