iterations/neb0_image09_iter82_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 0.374736202858E+03 0.37474E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.253786493515E+01 -0.37220E+03 -0.35982E+03 877 0.196E+02
DAV: 3 -0.966940648850E+02 -0.99232E+02 -0.98893E+02 656 0.117E+02
DAV: 4 -0.101233218873E+03 -0.45392E+01 -0.45299E+01 696 0.289E+01
DAV: 5 -0.101323123816E+03 -0.89905E-01 -0.89866E-01 736 0.368E+00 0.227E+01
DAV: 6 -0.926678000699E+02 0.86553E+01 -0.30849E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918006937041E+02 0.86711E+00 -0.17167E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914233839104E+02 0.37731E+00 -0.54435E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913407184484E+02 0.82665E-01 -0.13134E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913317592804E+02 0.89592E-02 -0.46178E-02 760 0.113E+00 0.305E-01
DAV: 11 -0.913362836868E+02 -0.45244E-02 -0.13502E-02 613 0.604E-01 0.148E-01
DAV: 12 -0.913392174433E+02 -0.29338E-02 -0.30528E-03 623 0.245E-01 0.114E-01
DAV: 13 -0.913430750011E+02 -0.38576E-02 -0.16540E-03 709 0.224E-01 0.445E-02
DAV: 14 -0.913465053338E+02 -0.34303E-02 -0.60333E-04 664 0.136E-01 0.331E-02
DAV: 15 -0.913479287222E+02 -0.14234E-02 -0.14056E-04 696 0.717E-02 0.351E-02
DAV: 16 -0.913492502750E+02 -0.13216E-02 -0.37474E-04 647 0.101E-01 0.211E-02
DAV: 17 -0.913495043598E+02 -0.25408E-03 -0.52167E-05 688 0.553E-02 0.129E-02
DAV: 18 -0.913497506255E+02 -0.24627E-03 -0.46330E-05 556 0.326E-02 0.114E-02
DAV: 19 -0.913498469048E+02 -0.96279E-04 -0.10964E-05 480 0.187E-02 0.533E-03
DAV: 20 -0.913498807142E+02 -0.33809E-04 -0.10417E-05 456 0.189E-02 0.214E-03
DAV: 21 -0.913499044498E+02 -0.23736E-04 -0.39729E-06 420 0.905E-03 0.253E-03
DAV: 22 -0.913499079327E+02 -0.34828E-05 -0.69319E-07 504 0.364E-03
1 F= -.91349908E+02 E0= -.91354632E+02 d E =0.141721E-01