./iterations/neb0_image08_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 0.375285462285E+03 0.37529E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.369693156360E+01 -0.37159E+03 -0.35788E+03 869 0.196E+02
DAV: 3 -0.966627162405E+02 -0.10036E+03 -0.10002E+03 680 0.117E+02
DAV: 4 -0.101066724013E+03 -0.44040E+01 -0.43939E+01 696 0.279E+01
DAV: 5 -0.101152926122E+03 -0.86202E-01 -0.86164E-01 728 0.353E+00 0.226E+01
DAV: 6 -0.925425356974E+02 0.86104E+01 -0.30762E+01 701 0.302E+01 0.119E+01
DAV: 7 -0.916707653059E+02 0.87177E+00 -0.16767E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.912898644328E+02 0.38090E+00 -0.56583E-01 696 0.406E+00 0.163E+00
DAV: 9 -0.912054623562E+02 0.84402E-01 -0.12791E-01 704 0.154E+00 0.431E-01
DAV: 10 -0.911956518426E+02 0.98105E-02 -0.46770E-02 728 0.110E+00 0.307E-01
DAV: 11 -0.912011313469E+02 -0.54795E-02 -0.16735E-02 613 0.667E-01 0.194E-01
DAV: 12 -0.912032584196E+02 -0.21271E-02 -0.27572E-03 623 0.238E-01 0.130E-01
DAV: 13 -0.912075335325E+02 -0.42751E-02 -0.35898E-03 653 0.315E-01 0.636E-02
DAV: 14 -0.912098386560E+02 -0.23051E-02 -0.53149E-04 664 0.147E-01 0.297E-02
DAV: 15 -0.912125091592E+02 -0.26705E-02 -0.33990E-04 631 0.759E-02 0.235E-02
DAV: 16 -0.912132451377E+02 -0.73598E-03 -0.59572E-05 688 0.453E-02 0.889E-03
DAV: 17 -0.912141010368E+02 -0.85590E-03 -0.11939E-04 625 0.475E-02 0.122E-02
DAV: 18 -0.912141894711E+02 -0.88434E-04 -0.60041E-06 520 0.226E-02 0.797E-03
DAV: 19 -0.912143154517E+02 -0.12598E-03 -0.47494E-05 595 0.370E-02 0.842E-03
DAV: 20 -0.912143193516E+02 -0.38999E-05 -0.31474E-06 528 0.165E-02
1 F= -.91214319E+02 E0= -.91219530E+02 d E =0.156328E-01