iterations/neb0_image07_iter194_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 0.371465435035E+03 0.37147E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.342879415867E+01 -0.36804E+03 -0.35554E+03 869 0.194E+02
DAV: 3 -0.963708558003E+02 -0.99800E+02 -0.99478E+02 672 0.116E+02
DAV: 4 -0.101087778267E+03 -0.47169E+01 -0.47048E+01 712 0.287E+01
DAV: 5 -0.101184549533E+03 -0.96771E-01 -0.96713E-01 728 0.367E+00 0.227E+01
DAV: 6 -0.925758756040E+02 0.86087E+01 -0.30577E+01 717 0.299E+01 0.119E+01
DAV: 7 -0.917255414440E+02 0.85033E+00 -0.17365E+00 712 0.618E+00 0.480E+00
DAV: 8 -0.913543321114E+02 0.37121E+00 -0.53233E-01 728 0.397E+00 0.163E+00
DAV: 9 -0.912728560571E+02 0.81476E-01 -0.13037E-01 728 0.157E+00 0.419E-01
DAV: 10 -0.912641924490E+02 0.86636E-02 -0.41160E-02 717 0.106E+00 0.293E-01
DAV: 11 -0.912685519894E+02 -0.43595E-02 -0.12101E-02 616 0.578E-01 0.146E-01
DAV: 12 -0.912712529303E+02 -0.27009E-02 -0.23764E-03 634 0.255E-01 0.910E-02
DAV: 13 -0.912753178575E+02 -0.40649E-02 -0.17536E-03 634 0.213E-01 0.538E-02
DAV: 14 -0.912776109267E+02 -0.22931E-02 -0.49640E-04 888 0.178E-01 0.336E-02
DAV: 15 -0.912798289500E+02 -0.22180E-02 -0.36576E-04 647 0.940E-02 0.294E-02
DAV: 16 -0.912809369501E+02 -0.11080E-02 -0.11409E-04 688 0.615E-02 0.142E-02
DAV: 17 -0.912817838299E+02 -0.84688E-03 -0.14167E-04 693 0.610E-02 0.149E-02
DAV: 18 -0.912820009840E+02 -0.21715E-03 -0.34349E-05 624 0.411E-02 0.614E-03
DAV: 19 -0.912820657853E+02 -0.64801E-04 -0.18149E-05 528 0.237E-02 0.645E-03
DAV: 20 -0.912821125363E+02 -0.46751E-04 -0.48957E-06 447 0.156E-02 0.356E-03
DAV: 21 -0.912821399768E+02 -0.27440E-04 -0.73754E-06 458 0.172E-02 0.247E-03
DAV: 22 -0.912821486517E+02 -0.86749E-05 -0.16281E-06 472 0.102E-02
1 F= -.91282149E+02 E0= -.91287739E+02 d E =0.167719E-01