iterations/neb0_image06_iter173_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 0.370777260513E+03 0.37078E+03 -0.14345E+04 640 0.799E+02
DAV: 2 0.330925385110E+01 -0.36747E+03 -0.35563E+03 877 0.193E+02
DAV: 3 -0.959880197932E+02 -0.99297E+02 -0.98957E+02 682 0.116E+02
DAV: 4 -0.100524438160E+03 -0.45364E+01 -0.45242E+01 712 0.280E+01
DAV: 5 -0.100614006118E+03 -0.89568E-01 -0.89524E-01 728 0.353E+00 0.226E+01
DAV: 6 -0.920667245661E+02 0.85473E+01 -0.30600E+01 709 0.302E+01 0.118E+01
DAV: 7 -0.912396468898E+02 0.82708E+00 -0.17172E+00 712 0.626E+00 0.480E+00
DAV: 8 -0.908632806393E+02 0.37637E+00 -0.54658E-01 712 0.410E+00 0.166E+00
DAV: 9 -0.907748447503E+02 0.88436E-01 -0.12878E-01 720 0.159E+00 0.421E-01
DAV: 10 -0.907647008151E+02 0.10144E-01 -0.36174E-02 744 0.949E-01 0.283E-01
DAV: 11 -0.907687804561E+02 -0.40796E-02 -0.92259E-03 602 0.493E-01 0.143E-01
DAV: 12 -0.907714782871E+02 -0.26978E-02 -0.20138E-03 642 0.263E-01 0.824E-02
DAV: 13 -0.907754342250E+02 -0.39559E-02 -0.17356E-03 639 0.194E-01 0.669E-02
DAV: 14 -0.907785881817E+02 -0.31540E-02 -0.11341E-03 736 0.250E-01 0.434E-02
DAV: 15 -0.907805452907E+02 -0.19571E-02 -0.36782E-04 658 0.103E-01 0.451E-02
DAV: 16 -0.907817637271E+02 -0.12184E-02 -0.32920E-04 696 0.114E-01 0.188E-02
DAV: 17 -0.907826293415E+02 -0.86561E-03 -0.15868E-04 693 0.638E-02 0.153E-02
DAV: 18 -0.907829131810E+02 -0.28384E-03 -0.19659E-05 504 0.223E-02 0.116E-02
DAV: 19 -0.907830728457E+02 -0.15966E-03 -0.31499E-05 524 0.293E-02 0.344E-03
DAV: 20 -0.907830845514E+02 -0.11706E-04 -0.53284E-06 544 0.133E-02 0.219E-03
DAV: 21 -0.907831182005E+02 -0.33649E-04 -0.44310E-06 401 0.102E-02 0.221E-03
DAV: 22 -0.907831242348E+02 -0.60343E-05 -0.10132E-06 480 0.481E-03
1 F= -.90783124E+02 E0= -.90788098E+02 d E =0.149198E-01