./iterations/neb0_image08_iter222_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 0.373448638114E+03 0.37345E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.266186391725E+01 -0.37079E+03 -0.35909E+03 877 0.196E+02
DAV: 3 -0.966375399070E+02 -0.99299E+02 -0.98996E+02 656 0.116E+02
DAV: 4 -0.101218374856E+03 -0.45808E+01 -0.45687E+01 728 0.290E+01
DAV: 5 -0.101308715250E+03 -0.90340E-01 -0.90292E-01 728 0.367E+00 0.227E+01
DAV: 6 -0.926446804800E+02 0.86640E+01 -0.30995E+01 717 0.300E+01 0.119E+01
DAV: 7 -0.917877672061E+02 0.85691E+00 -0.17243E+00 720 0.614E+00 0.479E+00
DAV: 8 -0.914141335781E+02 0.37363E+00 -0.54499E-01 720 0.395E+00 0.161E+00
DAV: 9 -0.913344866346E+02 0.79647E-01 -0.13031E-01 728 0.154E+00 0.418E-01
DAV: 10 -0.913266570490E+02 0.78296E-02 -0.44080E-02 744 0.107E+00 0.299E-01
DAV: 11 -0.913315132931E+02 -0.48562E-02 -0.12966E-02 608 0.591E-01 0.143E-01
DAV: 12 -0.913344661315E+02 -0.29528E-02 -0.26410E-03 634 0.223E-01 0.113E-01
DAV: 13 -0.913381776569E+02 -0.37115E-02 -0.24400E-03 639 0.258E-01 0.518E-02
DAV: 14 -0.913412257645E+02 -0.30481E-02 -0.69442E-04 656 0.155E-01 0.242E-02
DAV: 15 -0.913426187045E+02 -0.13929E-02 -0.14446E-04 680 0.627E-02 0.203E-02
DAV: 16 -0.913436552797E+02 -0.10366E-02 -0.14879E-04 642 0.700E-02 0.111E-02
DAV: 17 -0.913441091193E+02 -0.45384E-03 -0.37583E-05 600 0.316E-02 0.117E-02
DAV: 18 -0.913443066850E+02 -0.19757E-03 -0.33651E-05 648 0.323E-02 0.514E-03
DAV: 19 -0.913443865659E+02 -0.79881E-04 -0.84847E-06 445 0.147E-02 0.254E-03
DAV: 20 -0.913444082888E+02 -0.21723E-04 -0.35346E-06 496 0.782E-03 0.187E-03
DAV: 21 -0.913444181729E+02 -0.98841E-05 -0.12996E-06 420 0.532E-03
1 F= -.91344418E+02 E0= -.91349248E+02 d E =0.144906E-01