iterations/neb0_image04_iter269_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 0.366960459283E+03 0.36696E+03 -0.14308E+04 624 0.799E+02
DAV: 2 0.578027315247E+00 -0.36638E+03 -0.35527E+03 858 0.195E+02
DAV: 3 -0.960614561784E+02 -0.96639E+02 -0.96345E+02 656 0.116E+02
DAV: 4 -0.100383062142E+03 -0.43216E+01 -0.43128E+01 704 0.280E+01
DAV: 5 -0.100467956970E+03 -0.84895E-01 -0.84868E-01 736 0.350E+00 0.224E+01
DAV: 6 -0.917049285362E+02 0.87630E+01 -0.31356E+01 682 0.300E+01 0.118E+01
DAV: 7 -0.908417976019E+02 0.86313E+00 -0.18273E+00 720 0.659E+00 0.486E+00
DAV: 8 -0.904295990718E+02 0.41220E+00 -0.54608E-01 704 0.455E+00 0.179E+00
DAV: 9 -0.903378225309E+02 0.91777E-01 -0.16055E-01 720 0.207E+00 0.564E-01
DAV: 10 -0.903241232057E+02 0.13699E-01 -0.36786E-02 720 0.102E+00 0.346E-01
DAV: 11 -0.903257523113E+02 -0.16291E-02 -0.11322E-02 696 0.543E-01 0.212E-01
DAV: 12 -0.903289857928E+02 -0.32335E-02 -0.32918E-03 669 0.412E-01 0.126E-01
DAV: 13 -0.903321054876E+02 -0.31197E-02 -0.16881E-03 650 0.294E-01 0.110E-01
DAV: 14 -0.903360519475E+02 -0.39465E-02 -0.27213E-03 740 0.333E-01 0.666E-02
DAV: 15 -0.903376156270E+02 -0.15637E-02 -0.38923E-04 696 0.125E-01 0.500E-02
DAV: 16 -0.903401695443E+02 -0.25539E-02 -0.11425E-03 708 0.219E-01 0.420E-02
DAV: 17 -0.903409698797E+02 -0.80034E-03 -0.16878E-04 680 0.843E-02 0.341E-02
DAV: 18 -0.903415745491E+02 -0.60467E-03 -0.15538E-04 702 0.700E-02 0.125E-02
DAV: 19 -0.903420074226E+02 -0.43287E-03 -0.84272E-05 660 0.524E-02 0.101E-02
DAV: 20 -0.903421432558E+02 -0.13583E-03 -0.10669E-05 458 0.164E-02 0.923E-03
DAV: 21 -0.903422205827E+02 -0.77327E-04 -0.11014E-05 463 0.185E-02 0.484E-03
DAV: 22 -0.903422623589E+02 -0.41776E-04 -0.92699E-06 428 0.151E-02 0.233E-03
DAV: 23 -0.903422694749E+02 -0.71160E-05 -0.21928E-06 512 0.869E-03
1 F= -.90342269E+02 E0= -.90350558E+02 d E =0.248641E-01