iterations/neb0_image09_iter111_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 0.374815702753E+03 0.37482E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.250973839852E+01 -0.37231E+03 -0.35997E+03 877 0.196E+02
DAV: 3 -0.967096563725E+02 -0.99219E+02 -0.98884E+02 656 0.117E+02
DAV: 4 -0.101245998499E+03 -0.45363E+01 -0.45270E+01 696 0.289E+01
DAV: 5 -0.101335600949E+03 -0.89602E-01 -0.89563E-01 736 0.368E+00 0.227E+01
DAV: 6 -0.926719866125E+02 0.86636E+01 -0.30868E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918034254944E+02 0.86856E+00 -0.17149E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914267584284E+02 0.37667E+00 -0.54275E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913442355370E+02 0.82523E-01 -0.13143E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913354219792E+02 0.88136E-02 -0.46080E-02 792 0.112E+00 0.305E-01
DAV: 11 -0.913398927427E+02 -0.44708E-02 -0.13217E-02 616 0.601E-01 0.144E-01
DAV: 12 -0.913427809774E+02 -0.28882E-02 -0.29692E-03 623 0.244E-01 0.112E-01
DAV: 13 -0.913466577089E+02 -0.38767E-02 -0.15513E-03 696 0.212E-01 0.444E-02
DAV: 14 -0.913501520095E+02 -0.34943E-02 -0.63098E-04 661 0.138E-01 0.345E-02
DAV: 15 -0.913514249974E+02 -0.12730E-02 -0.12600E-04 704 0.736E-02 0.339E-02
DAV: 16 -0.913528058012E+02 -0.13808E-02 -0.36381E-04 644 0.967E-02 0.204E-02
DAV: 17 -0.913530947079E+02 -0.28891E-03 -0.59530E-05 712 0.577E-02 0.117E-02
DAV: 18 -0.913533445944E+02 -0.24989E-03 -0.44783E-05 559 0.307E-02 0.113E-02
DAV: 19 -0.913534265075E+02 -0.81913E-04 -0.98717E-06 480 0.188E-02 0.539E-03
DAV: 20 -0.913534576429E+02 -0.31135E-04 -0.12445E-05 448 0.221E-02 0.285E-03
DAV: 21 -0.913534766831E+02 -0.19040E-04 -0.30875E-06 445 0.901E-03 0.270E-03
DAV: 22 -0.913534829767E+02 -0.62936E-05 -0.11774E-06 434 0.607E-03
1 F= -.91353483E+02 E0= -.91358280E+02 d E =0.143920E-01