./iterations/neb0_image02_iter291_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 0.366127140787E+03 0.36613E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.110535858330E+01 -0.36502E+03 -0.35334E+03 869 0.196E+02
DAV: 3 -0.956027997114E+02 -0.96708E+02 -0.96376E+02 632 0.115E+02
DAV: 4 -0.100279891781E+03 -0.46771E+01 -0.46663E+01 704 0.296E+01
DAV: 5 -0.100372402025E+03 -0.92510E-01 -0.92473E-01 720 0.375E+00 0.223E+01
DAV: 6 -0.916773726868E+02 0.86950E+01 -0.30929E+01 680 0.299E+01 0.118E+01
DAV: 7 -0.908457518702E+02 0.83162E+00 -0.18135E+00 712 0.634E+00 0.485E+00
DAV: 8 -0.904659421339E+02 0.37981E+00 -0.55284E-01 704 0.429E+00 0.169E+00
DAV: 9 -0.903828804874E+02 0.83062E-01 -0.13458E-01 720 0.167E+00 0.426E-01
DAV: 10 -0.903789345506E+02 0.39459E-02 -0.47848E-02 720 0.126E+00 0.324E-01
DAV: 11 -0.903827213828E+02 -0.37868E-02 -0.76757E-03 624 0.568E-01 0.120E-01
DAV: 12 -0.903860360259E+02 -0.33146E-02 -0.69599E-03 640 0.444E-01 0.139E-01
DAV: 13 -0.903883212932E+02 -0.22853E-02 -0.20931E-03 872 0.341E-01 0.770E-02
DAV: 14 -0.903914189466E+02 -0.30977E-02 -0.13340E-03 615 0.179E-01 0.702E-02
DAV: 15 -0.903929914667E+02 -0.15725E-02 -0.26369E-04 688 0.975E-02 0.564E-02
DAV: 16 -0.903943965567E+02 -0.14051E-02 -0.99090E-04 648 0.191E-01 0.336E-02
DAV: 17 -0.903950667803E+02 -0.67022E-03 -0.11252E-04 688 0.667E-02 0.325E-02
DAV: 18 -0.903954032358E+02 -0.33646E-03 -0.92778E-05 650 0.501E-02 0.158E-02
DAV: 19 -0.903955393907E+02 -0.13615E-03 -0.67076E-05 664 0.440E-02 0.861E-03
DAV: 20 -0.903955759721E+02 -0.36581E-04 -0.40943E-06 480 0.131E-02 0.767E-03
DAV: 21 -0.903956121497E+02 -0.36178E-04 -0.99716E-06 418 0.185E-02 0.301E-03
DAV: 22 -0.903956161845E+02 -0.40348E-05 -0.44268E-06 504 0.125E-02
1 F= -.90395616E+02 E0= -.90400826E+02 d E =0.156283E-01