iterations/neb0_image08_iter56_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 0.375822978708E+03 0.37582E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.376830191872E+01 -0.37205E+03 -0.35840E+03 869 0.196E+02
DAV: 3 -0.967277217027E+02 -0.10050E+03 -0.10016E+03 688 0.117E+02
DAV: 4 -0.101074550164E+03 -0.43468E+01 -0.43368E+01 704 0.276E+01
DAV: 5 -0.101159544537E+03 -0.84994E-01 -0.84960E-01 736 0.346E+00 0.227E+01
DAV: 6 -0.925540137700E+02 0.86055E+01 -0.30821E+01 693 0.302E+01 0.119E+01
DAV: 7 -0.916882801261E+02 0.86573E+00 -0.16741E+00 728 0.614E+00 0.481E+00
DAV: 8 -0.913091520662E+02 0.37913E+00 -0.55982E-01 704 0.404E+00 0.162E+00
DAV: 9 -0.912258223340E+02 0.83330E-01 -0.12818E-01 712 0.153E+00 0.427E-01
DAV: 10 -0.912162951070E+02 0.95272E-02 -0.47449E-02 728 0.112E+00 0.310E-01
DAV: 11 -0.912211944004E+02 -0.48993E-02 -0.14730E-02 616 0.622E-01 0.165E-01
DAV: 12 -0.912240945669E+02 -0.29002E-02 -0.33063E-03 630 0.250E-01 0.131E-01
DAV: 13 -0.912280574599E+02 -0.39629E-02 -0.23300E-03 720 0.279E-01 0.504E-02
DAV: 14 -0.912309402021E+02 -0.28827E-02 -0.47220E-04 656 0.108E-01 0.408E-02
DAV: 15 -0.912331964516E+02 -0.22562E-02 -0.20475E-04 653 0.625E-02 0.336E-02
DAV: 16 -0.912342360495E+02 -0.10396E-02 -0.37118E-04 669 0.942E-02 0.258E-02
DAV: 17 -0.912344988057E+02 -0.26276E-03 -0.60760E-05 656 0.520E-02 0.120E-02
DAV: 18 -0.912347306723E+02 -0.23187E-03 -0.45317E-05 559 0.292E-02 0.815E-03
DAV: 19 -0.912347620711E+02 -0.31399E-04 -0.50022E-06 528 0.179E-02 0.397E-03
DAV: 20 -0.912348012308E+02 -0.39160E-04 -0.13144E-05 398 0.225E-02 0.547E-03
DAV: 21 -0.912348192001E+02 -0.17969E-04 -0.29190E-06 469 0.115E-02 0.354E-03
DAV: 22 -0.912348241098E+02 -0.49097E-05 -0.35755E-06 474 0.112E-02
1 F= -.91234824E+02 E0= -.91239693E+02 d E =0.146062E-01