iterations/neb0_image09_iter27_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 0.374862768331E+03 0.37486E+03 -0.14286E+04 624 0.799E+02
DAV: 2 0.202727885627E+01 -0.37284E+03 -0.36031E+03 885 0.196E+02
DAV: 3 -0.969043639209E+02 -0.98932E+02 -0.98609E+02 672 0.116E+02
DAV: 4 -0.101259924320E+03 -0.43556E+01 -0.43460E+01 704 0.279E+01
DAV: 5 -0.101344048969E+03 -0.84125E-01 -0.84085E-01 736 0.352E+00 0.228E+01
DAV: 6 -0.926396679637E+02 0.87044E+01 -0.30897E+01 704 0.301E+01 0.120E+01
DAV: 7 -0.917526152538E+02 0.88705E+00 -0.17124E+00 728 0.614E+00 0.479E+00
DAV: 8 -0.913751979991E+02 0.37742E+00 -0.53545E-01 712 0.393E+00 0.165E+00
DAV: 9 -0.912923384673E+02 0.82860E-01 -0.13376E-01 712 0.156E+00 0.428E-01
DAV: 10 -0.912836659072E+02 0.86726E-02 -0.43937E-02 752 0.112E+00 0.298E-01
DAV: 11 -0.912879019234E+02 -0.42360E-02 -0.12245E-02 624 0.580E-01 0.137E-01
DAV: 12 -0.912910136550E+02 -0.31117E-02 -0.26653E-03 620 0.235E-01 0.119E-01
DAV: 13 -0.912949368184E+02 -0.39232E-02 -0.21487E-03 669 0.250E-01 0.447E-02
DAV: 14 -0.912979003003E+02 -0.29635E-02 -0.50549E-04 672 0.133E-01 0.268E-02
DAV: 15 -0.912998424334E+02 -0.19421E-02 -0.18651E-04 664 0.646E-02 0.283E-02
DAV: 16 -0.913008703140E+02 -0.10279E-02 -0.17047E-04 664 0.688E-02 0.109E-02
DAV: 17 -0.913013853501E+02 -0.51504E-03 -0.42606E-05 597 0.332E-02 0.129E-02
DAV: 18 -0.913015909541E+02 -0.20560E-03 -0.37977E-05 624 0.358E-02 0.793E-03
DAV: 19 -0.913016622286E+02 -0.71274E-04 -0.86765E-06 472 0.218E-02 0.346E-03
DAV: 20 -0.913016861901E+02 -0.23962E-04 -0.62667E-06 464 0.130E-02 0.176E-03
DAV: 21 -0.913017129719E+02 -0.26782E-04 -0.28508E-06 401 0.664E-03 0.126E-03
DAV: 22 -0.913017184329E+02 -0.54610E-05 -0.10322E-06 496 0.516E-03
1 F= -.91301718E+02 E0= -.91306263E+02 d E =0.136342E-01