iterations/neb0_image09_iter51_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 0.374389025852E+03 0.37439E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.250402651037E+01 -0.37188E+03 -0.35951E+03 877 0.196E+02
DAV: 3 -0.966710583495E+02 -0.99175E+02 -0.98840E+02 656 0.117E+02
DAV: 4 -0.101210054012E+03 -0.45390E+01 -0.45298E+01 688 0.289E+01
DAV: 5 -0.101300424280E+03 -0.90370E-01 -0.90330E-01 736 0.369E+00 0.226E+01
DAV: 6 -0.926619963826E+02 0.86384E+01 -0.30847E+01 709 0.301E+01 0.119E+01
DAV: 7 -0.917972560857E+02 0.86474E+00 -0.17113E+00 728 0.616E+00 0.479E+00
DAV: 8 -0.914201599525E+02 0.37710E+00 -0.54728E-01 712 0.398E+00 0.163E+00
DAV: 9 -0.913376621394E+02 0.82498E-01 -0.13052E-01 704 0.155E+00 0.424E-01
DAV: 10 -0.913286189109E+02 0.90432E-02 -0.46290E-02 760 0.112E+00 0.306E-01
DAV: 11 -0.913332157263E+02 -0.45968E-02 -0.13948E-02 616 0.610E-01 0.153E-01
DAV: 12 -0.913360897556E+02 -0.28740E-02 -0.30331E-03 628 0.242E-01 0.116E-01
DAV: 13 -0.913399968500E+02 -0.39071E-02 -0.18603E-03 704 0.236E-01 0.453E-02
DAV: 14 -0.913432965738E+02 -0.32997E-02 -0.55860E-04 661 0.133E-01 0.309E-02
DAV: 15 -0.913448168531E+02 -0.15203E-02 -0.13198E-04 688 0.635E-02 0.324E-02
DAV: 16 -0.913461314142E+02 -0.13146E-02 -0.35291E-04 647 0.987E-02 0.209E-02
DAV: 17 -0.913463809863E+02 -0.24957E-03 -0.43808E-05 680 0.490E-02 0.135E-02
DAV: 18 -0.913465846501E+02 -0.20366E-03 -0.47541E-05 637 0.365E-02 0.110E-02
DAV: 19 -0.913467104362E+02 -0.12579E-03 -0.11944E-05 461 0.226E-02 0.509E-03
DAV: 20 -0.913467467511E+02 -0.36315E-04 -0.12603E-05 472 0.193E-02 0.257E-03
DAV: 21 -0.913467715590E+02 -0.24808E-04 -0.32878E-06 422 0.871E-03 0.217E-03
DAV: 22 -0.913467772382E+02 -0.56792E-05 -0.11526E-06 456 0.577E-03
1 F= -.91346777E+02 E0= -.91351346E+02 d E =0.137053E-01