./iterations/neb0_image09_iter46_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 0.374288604192E+03 0.37429E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.253303669036E+01 -0.37176E+03 -0.35936E+03 877 0.195E+02
DAV: 3 -0.966273125599E+02 -0.99160E+02 -0.98825E+02 656 0.117E+02
DAV: 4 -0.101171151626E+03 -0.45438E+01 -0.45346E+01 696 0.289E+01
DAV: 5 -0.101261414997E+03 -0.90263E-01 -0.90224E-01 736 0.369E+00 0.226E+01
DAV: 6 -0.926427300998E+02 0.86187E+01 -0.30833E+01 709 0.300E+01 0.119E+01
DAV: 7 -0.917874900480E+02 0.85524E+00 -0.17049E+00 728 0.615E+00 0.479E+00
DAV: 8 -0.914125829036E+02 0.37491E+00 -0.54769E-01 712 0.398E+00 0.163E+00
DAV: 9 -0.913299096365E+02 0.82673E-01 -0.12871E-01 701 0.153E+00 0.422E-01
DAV: 10 -0.913208958431E+02 0.90138E-02 -0.44273E-02 752 0.108E+00 0.300E-01
DAV: 11 -0.913257832833E+02 -0.48874E-02 -0.13660E-02 602 0.600E-01 0.161E-01
DAV: 12 -0.913285489505E+02 -0.27657E-02 -0.28393E-03 642 0.244E-01 0.107E-01
DAV: 13 -0.913323294939E+02 -0.37805E-02 -0.17228E-03 669 0.218E-01 0.470E-02
DAV: 14 -0.913358056392E+02 -0.34761E-02 -0.72026E-04 661 0.170E-01 0.315E-02
DAV: 15 -0.913370115739E+02 -0.12059E-02 -0.15487E-04 696 0.773E-02 0.310E-02
DAV: 16 -0.913381147440E+02 -0.11032E-02 -0.24060E-04 666 0.928E-02 0.156E-02
DAV: 17 -0.913387169807E+02 -0.60224E-03 -0.62633E-05 677 0.467E-02 0.142E-02
DAV: 18 -0.913389367628E+02 -0.21978E-03 -0.52775E-05 648 0.418E-02 0.122E-02
DAV: 19 -0.913390739635E+02 -0.13720E-03 -0.19322E-05 458 0.249E-02 0.430E-03
DAV: 20 -0.913391109087E+02 -0.36945E-04 -0.76511E-06 464 0.126E-02 0.215E-03
DAV: 21 -0.913391383603E+02 -0.27452E-04 -0.35271E-06 422 0.832E-03 0.114E-03
DAV: 22 -0.913391443611E+02 -0.60009E-05 -0.13830E-06 472 0.461E-03
1 F= -.91339144E+02 E0= -.91344095E+02 d E =0.148518E-01