./iterations/neb0_image09_iter59_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 0.374657199609E+03 0.37466E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.251265853997E+01 -0.37214E+03 -0.35978E+03 877 0.196E+02
DAV: 3 -0.968699787379E+02 -0.99383E+02 -0.99047E+02 672 0.117E+02
DAV: 4 -0.101246612720E+03 -0.43766E+01 -0.43677E+01 696 0.280E+01
DAV: 5 -0.101332641451E+03 -0.86029E-01 -0.85991E-01 736 0.355E+00 0.227E+01
DAV: 6 -0.926708050232E+02 0.86618E+01 -0.30891E+01 709 0.300E+01 0.119E+01
DAV: 7 -0.917989564958E+02 0.87185E+00 -0.17193E+00 728 0.616E+00 0.479E+00
DAV: 8 -0.914204664579E+02 0.37849E+00 -0.54448E-01 712 0.397E+00 0.163E+00
DAV: 9 -0.913380705585E+02 0.82396E-01 -0.13185E-01 701 0.155E+00 0.425E-01
DAV: 10 -0.913291971872E+02 0.88734E-02 -0.47536E-02 768 0.115E+00 0.309E-01
DAV: 11 -0.913338079408E+02 -0.46108E-02 -0.14663E-02 610 0.631E-01 0.154E-01
DAV: 12 -0.913366349607E+02 -0.28270E-02 -0.31267E-03 631 0.243E-01 0.121E-01
DAV: 13 -0.913405765159E+02 -0.39416E-02 -0.21773E-03 712 0.254E-01 0.463E-02
DAV: 14 -0.913438605422E+02 -0.32840E-02 -0.51819E-04 661 0.122E-01 0.304E-02
DAV: 15 -0.913455637862E+02 -0.17032E-02 -0.15751E-04 680 0.657E-02 0.318E-02
DAV: 16 -0.913467012003E+02 -0.11374E-02 -0.29664E-04 658 0.866E-02 0.188E-02
DAV: 17 -0.913469260500E+02 -0.22485E-03 -0.33370E-05 632 0.418E-02 0.131E-02
DAV: 18 -0.913471738269E+02 -0.24778E-03 -0.53979E-05 623 0.367E-02 0.998E-03
DAV: 19 -0.913472471882E+02 -0.73361E-04 -0.79489E-06 480 0.227E-02 0.490E-03
DAV: 20 -0.913472818057E+02 -0.34618E-04 -0.15252E-05 448 0.223E-02 0.403E-03
DAV: 21 -0.913473030257E+02 -0.21220E-04 -0.31680E-06 434 0.974E-03 0.295E-03
DAV: 22 -0.913473066522E+02 -0.36265E-05 -0.18234E-06 496 0.880E-03
1 F= -.91347307E+02 E0= -.91351984E+02 d E =0.140313E-01