./iterations/neb0_image08_iter148_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 0.374758417904E+03 0.37476E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.370771779430E+01 -0.37105E+03 -0.35888E+03 866 0.196E+02
DAV: 3 -0.966913425063E+02 -0.10040E+03 -0.10009E+03 669 0.117E+02
DAV: 4 -0.101232830667E+03 -0.45415E+01 -0.45291E+01 728 0.284E+01
DAV: 5 -0.101322170992E+03 -0.89340E-01 -0.89294E-01 712 0.361E+00 0.228E+01
DAV: 6 -0.926373885887E+02 0.86848E+01 -0.30883E+01 720 0.301E+01 0.119E+01
DAV: 7 -0.917669736878E+02 0.87041E+00 -0.17333E+00 712 0.616E+00 0.480E+00
DAV: 8 -0.913891987924E+02 0.37777E+00 -0.55360E-01 720 0.400E+00 0.161E+00
DAV: 9 -0.913088348994E+02 0.80364E-01 -0.13084E-01 720 0.156E+00 0.421E-01
DAV: 10 -0.913005091465E+02 0.83258E-02 -0.43602E-02 760 0.109E+00 0.299E-01
DAV: 11 -0.913050994187E+02 -0.45903E-02 -0.12445E-02 608 0.581E-01 0.142E-01
DAV: 12 -0.913080289895E+02 -0.29296E-02 -0.27303E-03 625 0.252E-01 0.963E-02
DAV: 13 -0.913114172239E+02 -0.33882E-02 -0.11318E-03 634 0.170E-01 0.484E-02
DAV: 14 -0.913148448049E+02 -0.34276E-02 -0.79562E-04 672 0.182E-01 0.352E-02
DAV: 15 -0.913161027965E+02 -0.12580E-02 -0.21315E-04 680 0.914E-02 0.358E-02
DAV: 16 -0.913174499296E+02 -0.13471E-02 -0.33095E-04 668 0.994E-02 0.174E-02
DAV: 17 -0.913179581358E+02 -0.50821E-03 -0.64802E-05 656 0.531E-02 0.137E-02
DAV: 18 -0.913181794303E+02 -0.22129E-03 -0.43797E-05 608 0.344E-02 0.109E-02
DAV: 19 -0.913183035895E+02 -0.12416E-03 -0.17263E-05 450 0.218E-02 0.522E-03
DAV: 20 -0.913183320385E+02 -0.28449E-04 -0.58304E-06 512 0.134E-02 0.224E-03
DAV: 21 -0.913183564541E+02 -0.24416E-04 -0.50804E-06 401 0.126E-02 0.203E-03
DAV: 22 -0.913183635817E+02 -0.71275E-05 -0.15979E-06 464 0.547E-03
1 F= -.91318364E+02 E0= -.91323114E+02 d E =0.142525E-01