./iterations/neb0_image06_iter71_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 0.376052899651E+03 0.37605E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.421365865206E+01 -0.37184E+03 -0.35953E+03 866 0.195E+02
DAV: 3 -0.955484350303E+02 -0.99762E+02 -0.99441E+02 656 0.117E+02
DAV: 4 -0.100118025299E+03 -0.45696E+01 -0.45585E+01 696 0.291E+01
DAV: 5 -0.100212612298E+03 -0.94587E-01 -0.94545E-01 712 0.372E+00 0.227E+01
DAV: 6 -0.915886897350E+02 0.86239E+01 -0.30791E+01 693 0.305E+01 0.118E+01
DAV: 7 -0.907423837195E+02 0.84631E+00 -0.16932E+00 720 0.623E+00 0.481E+00
DAV: 8 -0.903579342073E+02 0.38445E+00 -0.53633E-01 704 0.407E+00 0.165E+00
DAV: 9 -0.902680510608E+02 0.89883E-01 -0.13106E-01 720 0.159E+00 0.423E-01
DAV: 10 -0.902582275529E+02 0.98235E-02 -0.47038E-02 728 0.111E+00 0.313E-01
DAV: 11 -0.902629421367E+02 -0.47146E-02 -0.12869E-02 621 0.644E-01 0.160E-01
DAV: 12 -0.902649395634E+02 -0.19974E-02 -0.26781E-03 649 0.249E-01 0.130E-01
DAV: 13 -0.902696314617E+02 -0.46919E-02 -0.36395E-03 633 0.385E-01 0.730E-02
DAV: 14 -0.902713209323E+02 -0.16895E-02 -0.51453E-04 712 0.145E-01 0.570E-02
DAV: 15 -0.902745554531E+02 -0.32345E-02 -0.86764E-04 639 0.168E-01 0.371E-02
DAV: 16 -0.902755437484E+02 -0.98830E-03 -0.19674E-04 704 0.758E-02 0.278E-02
DAV: 17 -0.902761766125E+02 -0.63286E-03 -0.90549E-05 714 0.587E-02 0.136E-02
DAV: 18 -0.902768202882E+02 -0.64368E-03 -0.10192E-04 644 0.470E-02 0.104E-02
DAV: 19 -0.902768669783E+02 -0.46690E-04 -0.38406E-06 536 0.127E-02 0.865E-03
DAV: 20 -0.902769668450E+02 -0.99867E-04 -0.21984E-05 464 0.299E-02 0.392E-03
DAV: 21 -0.902769847046E+02 -0.17860E-04 -0.49664E-06 501 0.123E-02 0.448E-03
DAV: 22 -0.902769924672E+02 -0.77625E-05 -0.16842E-06 440 0.803E-03
1 F= -.90276992E+02 E0= -.90281854E+02 d E =0.145832E-01