iterations/neb0_image04_iter68_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 0.370443471517E+03 0.37044E+03 -0.14311E+04 632 0.799E+02
DAV: 2 0.409432538140E+01 -0.36635E+03 -0.35371E+03 861 0.195E+02
DAV: 3 -0.952709510331E+02 -0.99365E+02 -0.99046E+02 674 0.116E+02
DAV: 4 -0.997100560089E+02 -0.44391E+01 -0.44274E+01 712 0.281E+01
DAV: 5 -0.997963477705E+02 -0.86292E-01 -0.86250E-01 720 0.354E+00 0.221E+01
DAV: 6 -0.913351326393E+02 0.84612E+01 -0.29962E+01 674 0.295E+01 0.115E+01
DAV: 7 -0.904867532858E+02 0.84838E+00 -0.17270E+00 712 0.629E+00 0.480E+00
DAV: 8 -0.900856486993E+02 0.40110E+00 -0.56770E-01 712 0.431E+00 0.163E+00
DAV: 9 -0.899920306777E+02 0.93618E-01 -0.13298E-01 720 0.175E+00 0.440E-01
DAV: 10 -0.899820928891E+02 0.99378E-02 -0.57122E-02 712 0.136E+00 0.350E-01
DAV: 11 -0.899860207179E+02 -0.39278E-02 -0.13582E-02 634 0.658E-01 0.140E-01
DAV: 12 -0.899880235819E+02 -0.20029E-02 -0.41249E-03 642 0.288E-01 0.131E-01
DAV: 13 -0.899918715144E+02 -0.38479E-02 -0.22451E-03 837 0.369E-01 0.704E-02
DAV: 14 -0.899952055252E+02 -0.33340E-02 -0.11074E-03 650 0.160E-01 0.583E-02
DAV: 15 -0.899976578741E+02 -0.24523E-02 -0.36765E-04 733 0.115E-01 0.327E-02
DAV: 16 -0.899991787229E+02 -0.15208E-02 -0.43682E-04 685 0.109E-01 0.301E-02
DAV: 17 -0.900000748090E+02 -0.89609E-03 -0.14395E-04 735 0.758E-02 0.143E-02
DAV: 18 -0.900003728753E+02 -0.29807E-03 -0.55252E-05 653 0.347E-02 0.760E-03
DAV: 19 -0.900004950697E+02 -0.12219E-03 -0.13652E-05 464 0.180E-02 0.502E-03
DAV: 20 -0.900005541414E+02 -0.59072E-04 -0.10502E-05 441 0.157E-02 0.289E-03
DAV: 21 -0.900005660274E+02 -0.11886E-04 -0.32931E-06 504 0.894E-03 0.274E-03
DAV: 22 -0.900005703042E+02 -0.42767E-05 -0.14990E-06 432 0.868E-03
1 F= -.90000570E+02 E0= -.90005145E+02 d E =0.137247E-01