iterations/neb0_image04_iter277_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 0.366634217007E+03 0.36663E+03 -0.14311E+04 624 0.799E+02
DAV: 2 0.103174713718E+01 -0.36560E+03 -0.35394E+03 858 0.195E+02
DAV: 3 -0.960310502986E+02 -0.97063E+02 -0.96767E+02 656 0.116E+02
DAV: 4 -0.100404424673E+03 -0.43734E+01 -0.43644E+01 696 0.282E+01
DAV: 5 -0.100490757605E+03 -0.86333E-01 -0.86303E-01 728 0.353E+00 0.225E+01
DAV: 6 -0.916989895081E+02 0.87918E+01 -0.31517E+01 677 0.301E+01 0.118E+01
DAV: 7 -0.908361636421E+02 0.86283E+00 -0.18409E+00 720 0.660E+00 0.487E+00
DAV: 8 -0.904275518874E+02 0.40861E+00 -0.54339E-01 696 0.460E+00 0.183E+00
DAV: 9 -0.903381072704E+02 0.89445E-01 -0.15196E-01 728 0.232E+00 0.636E-01
DAV: 10 -0.903191432229E+02 0.18964E-01 -0.42196E-02 712 0.108E+00 0.382E-01
DAV: 11 -0.903217502272E+02 -0.26070E-02 -0.18367E-02 736 0.798E-01 0.367E-01
DAV: 12 -0.903227527511E+02 -0.10025E-02 -0.53398E-03 680 0.720E-01 0.174E-01
DAV: 13 -0.903260359114E+02 -0.32832E-02 -0.40100E-03 680 0.436E-01 0.106E-01
DAV: 14 -0.903290919223E+02 -0.30560E-02 -0.15065E-03 623 0.203E-01 0.741E-02
DAV: 15 -0.903326237127E+02 -0.35318E-02 -0.14179E-03 634 0.227E-01 0.826E-02
DAV: 16 -0.903342107327E+02 -0.15870E-02 -0.35290E-04 712 0.181E-01 0.333E-02
DAV: 17 -0.903359982288E+02 -0.17875E-02 -0.55673E-04 638 0.123E-01 0.395E-02
DAV: 18 -0.903364469678E+02 -0.44874E-03 -0.54729E-05 688 0.640E-02 0.247E-02
DAV: 19 -0.903368258331E+02 -0.37887E-03 -0.19221E-04 696 0.866E-02 0.169E-02
DAV: 20 -0.903369534869E+02 -0.12765E-03 -0.36835E-05 616 0.462E-02 0.119E-02
DAV: 21 -0.903370180837E+02 -0.64597E-04 -0.19851E-05 514 0.218E-02 0.114E-02
DAV: 22 -0.903370442648E+02 -0.26181E-04 -0.74012E-06 472 0.202E-02 0.321E-03
DAV: 23 -0.903370664766E+02 -0.22212E-04 -0.57950E-06 417 0.137E-02 0.151E-03
DAV: 24 -0.903370731326E+02 -0.66560E-05 -0.14095E-06 488 0.611E-03
1 F= -.90337073E+02 E0= -.90345125E+02 d E =0.241543E-01