iterations/neb0_image09_iter107_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 0.374867434488E+03 0.37487E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.248499061403E+01 -0.37238E+03 -0.36004E+03 877 0.196E+02
DAV: 3 -0.968355664422E+02 -0.99321E+02 -0.98986E+02 664 0.117E+02
DAV: 4 -0.101264954860E+03 -0.44294E+01 -0.44203E+01 696 0.285E+01
DAV: 5 -0.101351583177E+03 -0.86628E-01 -0.86590E-01 736 0.361E+00 0.227E+01
DAV: 6 -0.926769652098E+02 0.86746E+01 -0.30892E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918030492430E+02 0.87392E+00 -0.17156E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914253392127E+02 0.37771E+00 -0.54281E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913429474149E+02 0.82392E-01 -0.13193E-01 712 0.155E+00 0.425E-01
DAV: 10 -0.913341643201E+02 0.87831E-02 -0.46339E-02 784 0.113E+00 0.305E-01
DAV: 11 -0.913386081012E+02 -0.44438E-02 -0.13376E-02 616 0.605E-01 0.144E-01
DAV: 12 -0.913415145071E+02 -0.29064E-02 -0.29665E-03 631 0.240E-01 0.116E-01
DAV: 13 -0.913454394755E+02 -0.39250E-02 -0.18496E-03 696 0.233E-01 0.443E-02
DAV: 14 -0.913487397339E+02 -0.33003E-02 -0.52913E-04 669 0.125E-01 0.313E-02
DAV: 15 -0.913503301026E+02 -0.15904E-02 -0.13884E-04 680 0.647E-02 0.319E-02
DAV: 16 -0.913515932497E+02 -0.12631E-02 -0.33399E-04 661 0.916E-02 0.200E-02
DAV: 17 -0.913518307806E+02 -0.23753E-03 -0.39457E-05 656 0.449E-02 0.126E-02
DAV: 18 -0.913520736475E+02 -0.24287E-03 -0.50255E-05 553 0.346E-02 0.990E-03
DAV: 19 -0.913521479623E+02 -0.74315E-04 -0.70628E-06 480 0.190E-02 0.534E-03
DAV: 20 -0.913521817705E+02 -0.33808E-04 -0.17625E-05 456 0.256E-02 0.459E-03
DAV: 21 -0.913521995857E+02 -0.17815E-04 -0.32149E-06 442 0.119E-02 0.325E-03
DAV: 22 -0.913522048420E+02 -0.52564E-05 -0.23786E-06 442 0.886E-03
1 F= -.91352205E+02 E0= -.91356869E+02 d E =0.139928E-01