iterations/neb0_image08_iter275_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 0.374311369980E+03 0.37431E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.336843147764E+01 -0.37094E+03 -0.35955E+03 877 0.196E+02
DAV: 3 -0.963834221112E+02 -0.99752E+02 -0.99428E+02 640 0.116E+02
DAV: 4 -0.101212406521E+03 -0.48290E+01 -0.48163E+01 720 0.299E+01
DAV: 5 -0.101308276520E+03 -0.95870E-01 -0.95828E-01 728 0.381E+00 0.227E+01
DAV: 6 -0.926513538183E+02 0.86569E+01 -0.30819E+01 714 0.299E+01 0.119E+01
DAV: 7 -0.917867894357E+02 0.86456E+00 -0.16949E+00 728 0.612E+00 0.480E+00
DAV: 8 -0.914130869140E+02 0.37370E+00 -0.54966E-01 728 0.400E+00 0.161E+00
DAV: 9 -0.913338400561E+02 0.79247E-01 -0.12813E-01 728 0.153E+00 0.420E-01
DAV: 10 -0.913254726521E+02 0.83674E-02 -0.44493E-02 736 0.107E+00 0.303E-01
DAV: 11 -0.913302711850E+02 -0.47985E-02 -0.13523E-02 608 0.595E-01 0.149E-01
DAV: 12 -0.913333635913E+02 -0.30924E-02 -0.29327E-03 626 0.233E-01 0.112E-01
DAV: 13 -0.913371478248E+02 -0.37842E-02 -0.24843E-03 639 0.264E-01 0.549E-02
DAV: 14 -0.913403088970E+02 -0.31611E-02 -0.79800E-04 648 0.165E-01 0.257E-02
DAV: 15 -0.913416256525E+02 -0.13168E-02 -0.15131E-04 688 0.661E-02 0.202E-02
DAV: 16 -0.913426425415E+02 -0.10169E-02 -0.16180E-04 647 0.775E-02 0.119E-02
DAV: 17 -0.913430805767E+02 -0.43804E-03 -0.37324E-05 672 0.333E-02 0.116E-02
DAV: 18 -0.913432425391E+02 -0.16196E-03 -0.21744E-05 544 0.268E-02 0.595E-03
DAV: 19 -0.913433712427E+02 -0.12870E-03 -0.15534E-05 447 0.171E-02 0.320E-03
DAV: 20 -0.913433937321E+02 -0.22489E-04 -0.29723E-06 520 0.722E-03 0.214E-03
DAV: 21 -0.913434118669E+02 -0.18135E-04 -0.32459E-06 403 0.101E-02 0.137E-03
DAV: 22 -0.913434133004E+02 -0.14335E-05 -0.82814E-07 504 0.427E-03
1 F= -.91343413E+02 E0= -.91348023E+02 d E =0.138284E-01