./iterations/neb0_image08_iter193_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 0.374292194437E+03 0.37429E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.357887393127E+01 -0.37071E+03 -0.35838E+03 869 0.196E+02
DAV: 3 -0.966873724484E+02 -0.10027E+03 -0.99962E+02 669 0.117E+02
DAV: 4 -0.101271574287E+03 -0.45842E+01 -0.45722E+01 728 0.287E+01
DAV: 5 -0.101361467243E+03 -0.89893E-01 -0.89840E-01 712 0.363E+00 0.228E+01
DAV: 6 -0.926587010862E+02 0.87028E+01 -0.30984E+01 704 0.301E+01 0.119E+01
DAV: 7 -0.917905914882E+02 0.86811E+00 -0.17351E+00 720 0.615E+00 0.479E+00
DAV: 8 -0.914159488191E+02 0.37464E+00 -0.53739E-01 720 0.393E+00 0.163E+00
DAV: 9 -0.913352138561E+02 0.80735E-01 -0.13273E-01 728 0.155E+00 0.419E-01
DAV: 10 -0.913272318884E+02 0.79820E-02 -0.44718E-02 760 0.109E+00 0.302E-01
DAV: 11 -0.913320153591E+02 -0.47835E-02 -0.13558E-02 605 0.609E-01 0.146E-01
DAV: 12 -0.913348988741E+02 -0.28835E-02 -0.27722E-03 630 0.242E-01 0.103E-01
DAV: 13 -0.913384446915E+02 -0.35458E-02 -0.17900E-03 639 0.217E-01 0.462E-02
DAV: 14 -0.913420360325E+02 -0.35913E-02 -0.94590E-04 653 0.199E-01 0.381E-02
DAV: 15 -0.913429049465E+02 -0.86891E-03 -0.22079E-04 704 0.934E-02 0.296E-02
DAV: 16 -0.913437483248E+02 -0.84338E-03 -0.17988E-04 709 0.817E-02 0.108E-02
DAV: 17 -0.913445653255E+02 -0.81700E-03 -0.79389E-05 656 0.384E-02 0.134E-02
DAV: 18 -0.913448159568E+02 -0.25063E-03 -0.24130E-05 600 0.219E-02 0.926E-03
DAV: 19 -0.913449359746E+02 -0.12002E-03 -0.35219E-05 616 0.341E-02 0.615E-03
DAV: 20 -0.913449516122E+02 -0.15638E-04 -0.35579E-06 520 0.153E-02 0.365E-03
DAV: 21 -0.913449629626E+02 -0.11350E-04 -0.40475E-06 418 0.108E-02 0.131E-03
DAV: 22 -0.913449687778E+02 -0.58151E-05 -0.73305E-07 464 0.464E-03
1 F= -.91344969E+02 E0= -.91350104E+02 d E =0.154057E-01