./iterations/neb0_image05_iter91_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 0.373835781806E+03 0.37384E+03 -0.14312E+04 632 0.799E+02
DAV: 2 0.345745897936E+01 -0.37038E+03 -0.35802E+03 885 0.195E+02
DAV: 3 -0.942114616652E+02 -0.97669E+02 -0.97327E+02 634 0.116E+02
DAV: 4 -0.987618061582E+02 -0.45503E+01 -0.45394E+01 701 0.296E+01
DAV: 5 -0.988607472489E+02 -0.98941E-01 -0.98896E-01 728 0.385E+00 0.219E+01
DAV: 6 -0.905257923282E+02 0.83350E+01 -0.28670E+01 690 0.288E+01 0.112E+01
DAV: 7 -0.896432446630E+02 0.88255E+00 -0.17955E+00 720 0.671E+00 0.469E+00
DAV: 8 -0.892511122902E+02 0.39213E+00 -0.62426E-01 712 0.451E+00 0.156E+00
DAV: 9 -0.891681831028E+02 0.82929E-01 -0.12342E-01 728 0.165E+00 0.447E-01
DAV: 10 -0.891557599274E+02 0.12423E-01 -0.50889E-02 720 0.123E+00 0.342E-01
DAV: 11 -0.891571205174E+02 -0.13606E-02 -0.10687E-02 629 0.595E-01 0.117E-01
DAV: 12 -0.891593126890E+02 -0.21922E-02 -0.35382E-03 688 0.314E-01 0.127E-01
DAV: 13 -0.891652832683E+02 -0.59706E-02 -0.26338E-03 759 0.366E-01 0.722E-02
DAV: 14 -0.891676221874E+02 -0.23389E-02 -0.79865E-04 696 0.141E-01 0.559E-02
DAV: 15 -0.891704550917E+02 -0.28329E-02 -0.82499E-04 650 0.169E-01 0.340E-02
DAV: 16 -0.891715663836E+02 -0.11113E-02 -0.13046E-04 696 0.617E-02 0.246E-02
DAV: 17 -0.891728324716E+02 -0.12661E-02 -0.20212E-04 614 0.666E-02 0.131E-02
DAV: 18 -0.891731625927E+02 -0.33012E-03 -0.47391E-05 688 0.332E-02 0.102E-02
DAV: 19 -0.891732821223E+02 -0.11953E-03 -0.12143E-05 456 0.247E-02 0.436E-03
DAV: 20 -0.891733951744E+02 -0.11305E-03 -0.32499E-05 500 0.297E-02 0.876E-03
DAV: 21 -0.891734139296E+02 -0.18755E-04 -0.43319E-06 488 0.168E-02 0.469E-03
DAV: 22 -0.891734214453E+02 -0.75158E-05 -0.83265E-06 448 0.165E-02
1 F= -.89173421E+02 E0= -.89177517E+02 d E =0.122854E-01