./iterations/neb0_image05_iter148_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 0.363288776218E+03 0.36329E+03 -0.14327E+04 640 0.799E+02
DAV: 2 0.726555480736E+00 -0.36256E+03 -0.34993E+03 877 0.192E+02
DAV: 3 -0.950906836684E+02 -0.95817E+02 -0.95492E+02 653 0.115E+02
DAV: 4 -0.994651665172E+02 -0.43745E+01 -0.43642E+01 736 0.282E+01
DAV: 5 -0.995516767180E+02 -0.86510E-01 -0.86472E-01 728 0.356E+00 0.218E+01
DAV: 6 -0.911401646108E+02 0.84115E+01 -0.30265E+01 677 0.298E+01 0.114E+01
DAV: 7 -0.903797352413E+02 0.76043E+00 -0.18231E+00 736 0.638E+00 0.476E+00
DAV: 8 -0.900095880225E+02 0.37015E+00 -0.51701E-01 712 0.411E+00 0.171E+00
DAV: 9 -0.899152667702E+02 0.94321E-01 -0.13733E-01 720 0.162E+00 0.431E-01
DAV: 10 -0.899066621314E+02 0.86046E-02 -0.48192E-02 768 0.130E+00 0.325E-01
DAV: 11 -0.899096630726E+02 -0.30009E-02 -0.69976E-03 624 0.499E-01 0.145E-01
DAV: 12 -0.899125917372E+02 -0.29287E-02 -0.75985E-03 621 0.474E-01 0.136E-01
DAV: 13 -0.899155737572E+02 -0.29820E-02 -0.14950E-03 930 0.332E-01 0.815E-02
DAV: 14 -0.899187287753E+02 -0.31550E-02 -0.15141E-03 639 0.201E-01 0.626E-02
DAV: 15 -0.899211942892E+02 -0.24655E-02 -0.31091E-04 744 0.993E-02 0.410E-02
DAV: 16 -0.899230344065E+02 -0.18401E-02 -0.61872E-04 669 0.138E-01 0.326E-02
DAV: 17 -0.899238405897E+02 -0.80618E-03 -0.13287E-04 717 0.893E-02 0.192E-02
DAV: 18 -0.899241143682E+02 -0.27378E-03 -0.96165E-05 664 0.485E-02 0.110E-02
DAV: 19 -0.899242141177E+02 -0.99750E-04 -0.92642E-06 474 0.183E-02 0.569E-03
DAV: 20 -0.899243037419E+02 -0.89624E-04 -0.13447E-05 447 0.167E-02 0.338E-03
DAV: 21 -0.899243317401E+02 -0.27998E-04 -0.67378E-06 472 0.135E-02 0.278E-03
DAV: 22 -0.899243374629E+02 -0.57228E-05 -0.12891E-06 464 0.645E-03
1 F= -.89924337E+02 E0= -.89929953E+02 d E =0.168464E-01