iterations/neb0_image08_iter264_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 0.374176102959E+03 0.37418E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.399290716726E+01 -0.37018E+03 -0.35785E+03 869 0.196E+02
DAV: 3 -0.965344614846E+02 -0.10053E+03 -0.10020E+03 653 0.117E+02
DAV: 4 -0.101254683721E+03 -0.47202E+01 -0.47082E+01 712 0.293E+01
DAV: 5 -0.101347625493E+03 -0.92942E-01 -0.92891E-01 728 0.372E+00 0.227E+01
DAV: 6 -0.926547696740E+02 0.86929E+01 -0.31007E+01 714 0.301E+01 0.119E+01
DAV: 7 -0.917934656936E+02 0.86130E+00 -0.17215E+00 728 0.614E+00 0.479E+00
DAV: 8 -0.914198646114E+02 0.37360E+00 -0.53539E-01 728 0.393E+00 0.162E+00
DAV: 9 -0.913390902877E+02 0.80774E-01 -0.13208E-01 728 0.155E+00 0.420E-01
DAV: 10 -0.913308586218E+02 0.82317E-02 -0.45392E-02 752 0.109E+00 0.303E-01
DAV: 11 -0.913357771925E+02 -0.49186E-02 -0.14725E-02 608 0.629E-01 0.156E-01
DAV: 12 -0.913386049555E+02 -0.28278E-02 -0.28584E-03 626 0.235E-01 0.112E-01
DAV: 13 -0.913423424100E+02 -0.37375E-02 -0.26917E-03 647 0.270E-01 0.559E-02
DAV: 14 -0.913456780797E+02 -0.33357E-02 -0.95963E-04 656 0.184E-01 0.297E-02
DAV: 15 -0.913470327483E+02 -0.13547E-02 -0.19685E-04 664 0.747E-02 0.210E-02
DAV: 16 -0.913478548311E+02 -0.82208E-03 -0.13710E-04 730 0.740E-02 0.103E-02
DAV: 17 -0.913484120583E+02 -0.55723E-03 -0.54082E-05 650 0.311E-02 0.121E-02
DAV: 18 -0.913485369629E+02 -0.12490E-03 -0.97687E-06 504 0.203E-02 0.696E-03
DAV: 19 -0.913486906961E+02 -0.15373E-03 -0.36584E-05 548 0.306E-02 0.595E-03
DAV: 20 -0.913487009153E+02 -0.10219E-04 -0.28864E-06 520 0.142E-02 0.355E-03
DAV: 21 -0.913487160743E+02 -0.15159E-04 -0.61055E-06 409 0.147E-02 0.208E-03
DAV: 22 -0.913487255002E+02 -0.94259E-05 -0.13090E-06 447 0.680E-03
1 F= -.91348726E+02 E0= -.91353575E+02 d E =0.145484E-01