./iterations/neb0_image09_iter213_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 0.374004792271E+03 0.37400E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.326526352338E+01 -0.37074E+03 -0.35811E+03 869 0.196E+02
DAV: 3 -0.967331302356E+02 -0.99998E+02 -0.99669E+02 661 0.117E+02
DAV: 4 -0.101266217879E+03 -0.45331E+01 -0.45224E+01 720 0.287E+01
DAV: 5 -0.101354951125E+03 -0.88733E-01 -0.88692E-01 720 0.365E+00 0.227E+01
DAV: 6 -0.926781900723E+02 0.86768E+01 -0.30997E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918093472802E+02 0.86884E+00 -0.17254E+00 720 0.614E+00 0.479E+00
DAV: 8 -0.914335744652E+02 0.37577E+00 -0.54431E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913525788934E+02 0.80996E-01 -0.13153E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913443846736E+02 0.81942E-02 -0.44158E-02 768 0.110E+00 0.299E-01
DAV: 11 -0.913487404468E+02 -0.43558E-02 -0.11724E-02 608 0.563E-01 0.131E-01
DAV: 12 -0.913520242177E+02 -0.32838E-02 -0.29441E-03 623 0.244E-01 0.114E-01
DAV: 13 -0.913555054232E+02 -0.34812E-02 -0.13862E-03 711 0.209E-01 0.409E-02
DAV: 14 -0.913585213495E+02 -0.30159E-02 -0.56131E-04 664 0.124E-01 0.374E-02
DAV: 15 -0.913602185380E+02 -0.16972E-02 -0.14599E-04 688 0.738E-02 0.324E-02
DAV: 16 -0.913615578787E+02 -0.13393E-02 -0.33121E-04 664 0.879E-02 0.194E-02
DAV: 17 -0.913619284392E+02 -0.37056E-03 -0.67687E-05 672 0.569E-02 0.111E-02
DAV: 18 -0.913621630309E+02 -0.23459E-03 -0.39283E-05 576 0.263E-02 0.997E-03
DAV: 19 -0.913622107193E+02 -0.47688E-04 -0.75230E-06 496 0.187E-02 0.436E-03
DAV: 20 -0.913622435225E+02 -0.32803E-04 -0.12541E-05 418 0.219E-02 0.411E-03
DAV: 21 -0.913622563203E+02 -0.12798E-04 -0.28208E-06 472 0.941E-03 0.342E-03
DAV: 22 -0.913622606279E+02 -0.43075E-05 -0.15129E-06 464 0.796E-03
1 F= -.91362261E+02 E0= -.91366951E+02 d E =0.140704E-01