iterations/neb0_image09_iter74_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 0.374960253319E+03 0.37496E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.257486004582E+01 -0.37239E+03 -0.36002E+03 877 0.196E+02
DAV: 3 -0.968824307925E+02 -0.99457E+02 -0.99120E+02 672 0.117E+02
DAV: 4 -0.101263068422E+03 -0.43806E+01 -0.43716E+01 704 0.281E+01
DAV: 5 -0.101348708464E+03 -0.85640E-01 -0.85604E-01 736 0.355E+00 0.227E+01
DAV: 6 -0.926733559509E+02 0.86754E+01 -0.30895E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.918006361141E+02 0.87272E+00 -0.17271E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914221813285E+02 0.37845E+00 -0.54420E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913394836361E+02 0.82698E-01 -0.13157E-01 701 0.155E+00 0.425E-01
DAV: 10 -0.913305826417E+02 0.89010E-02 -0.46735E-02 776 0.113E+00 0.306E-01
DAV: 11 -0.913351637311E+02 -0.45811E-02 -0.13765E-02 613 0.614E-01 0.148E-01
DAV: 12 -0.913380262683E+02 -0.28625E-02 -0.29893E-03 628 0.244E-01 0.118E-01
DAV: 13 -0.913418741220E+02 -0.38479E-02 -0.18857E-03 720 0.235E-01 0.441E-02
DAV: 14 -0.913452863013E+02 -0.34122E-02 -0.55880E-04 661 0.133E-01 0.316E-02
DAV: 15 -0.913468359585E+02 -0.15497E-02 -0.15312E-04 680 0.712E-02 0.343E-02
DAV: 16 -0.913480948671E+02 -0.12589E-02 -0.33874E-04 655 0.958E-02 0.201E-02
DAV: 17 -0.913483572005E+02 -0.26233E-03 -0.42634E-05 688 0.498E-02 0.132E-02
DAV: 18 -0.913485763392E+02 -0.21914E-03 -0.44501E-05 573 0.346E-02 0.114E-02
DAV: 19 -0.913486932589E+02 -0.11692E-03 -0.11407E-05 472 0.205E-02 0.544E-03
DAV: 20 -0.913487323125E+02 -0.39054E-04 -0.15134E-05 472 0.214E-02 0.331E-03
DAV: 21 -0.913487574417E+02 -0.25129E-04 -0.35903E-06 414 0.108E-02 0.169E-03
DAV: 22 -0.913487611100E+02 -0.36683E-05 -0.13787E-06 496 0.559E-03
1 F= -.91348761E+02 E0= -.91353650E+02 d E =0.146663E-01