iterations/neb0_image08_iter286_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 0.375237830991E+03 0.37524E+03 -0.14290E+04 624 0.799E+02
DAV: 2 0.361007046112E+01 -0.37163E+03 -0.36024E+03 877 0.196E+02
DAV: 3 -0.964757496577E+02 -0.10009E+03 -0.99734E+02 648 0.117E+02
DAV: 4 -0.101270313992E+03 -0.47946E+01 -0.47835E+01 704 0.299E+01
DAV: 5 -0.101365096550E+03 -0.94783E-01 -0.94745E-01 720 0.381E+00 0.228E+01
DAV: 6 -0.926676747102E+02 0.86974E+01 -0.30797E+01 712 0.300E+01 0.119E+01
DAV: 7 -0.917872284855E+02 0.88045E+00 -0.17117E+00 728 0.613E+00 0.480E+00
DAV: 8 -0.914112766706E+02 0.37595E+00 -0.54678E-01 728 0.400E+00 0.162E+00
DAV: 9 -0.913308888353E+02 0.80388E-01 -0.12983E-01 736 0.154E+00 0.422E-01
DAV: 10 -0.913224214998E+02 0.84673E-02 -0.45336E-02 741 0.109E+00 0.305E-01
DAV: 11 -0.913272925463E+02 -0.48710E-02 -0.14586E-02 608 0.623E-01 0.157E-01
DAV: 12 -0.913302301012E+02 -0.29376E-02 -0.29746E-03 634 0.233E-01 0.111E-01
DAV: 13 -0.913340677600E+02 -0.38377E-02 -0.26674E-03 639 0.270E-01 0.576E-02
DAV: 14 -0.913373608809E+02 -0.32931E-02 -0.92885E-04 661 0.176E-01 0.274E-02
DAV: 15 -0.913387218263E+02 -0.13609E-02 -0.16885E-04 680 0.696E-02 0.184E-02
DAV: 16 -0.913397480615E+02 -0.10262E-02 -0.15899E-04 650 0.742E-02 0.120E-02
DAV: 17 -0.913401507765E+02 -0.40271E-03 -0.35805E-05 672 0.291E-02 0.110E-02
DAV: 18 -0.913402646717E+02 -0.11390E-03 -0.12638E-05 496 0.230E-02 0.557E-03
DAV: 19 -0.913404200417E+02 -0.15537E-03 -0.24435E-05 510 0.210E-02 0.405E-03
DAV: 20 -0.913404366915E+02 -0.16650E-04 -0.16204E-06 520 0.890E-03 0.242E-03
DAV: 21 -0.913404572390E+02 -0.20547E-04 -0.52751E-06 400 0.140E-02 0.266E-03
DAV: 22 -0.913404608667E+02 -0.36277E-05 -0.10403E-06 493 0.732E-03
1 F= -.91340461E+02 E0= -.91345301E+02 d E =0.145201E-01