iterations/neb0_image06_iter179_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 0.370980447505E+03 0.37098E+03 -0.14348E+04 640 0.799E+02
DAV: 2 0.329698482011E+01 -0.36768E+03 -0.35568E+03 877 0.193E+02
DAV: 3 -0.960925915522E+02 -0.99390E+02 -0.99049E+02 693 0.116E+02
DAV: 4 -0.100512513206E+03 -0.44199E+01 -0.44087E+01 720 0.275E+01
DAV: 5 -0.100599142341E+03 -0.86629E-01 -0.86588E-01 728 0.345E+00 0.226E+01
DAV: 6 -0.920488305709E+02 0.85503E+01 -0.30557E+01 701 0.301E+01 0.118E+01
DAV: 7 -0.912144005148E+02 0.83443E+00 -0.17289E+00 720 0.626E+00 0.481E+00
DAV: 8 -0.908363113261E+02 0.37809E+00 -0.55826E-01 712 0.413E+00 0.164E+00
DAV: 9 -0.907489408180E+02 0.87371E-01 -0.12730E-01 720 0.157E+00 0.422E-01
DAV: 10 -0.907387991668E+02 0.10142E-01 -0.36423E-02 736 0.947E-01 0.284E-01
DAV: 11 -0.907427266746E+02 -0.39275E-02 -0.88021E-03 596 0.475E-01 0.138E-01
DAV: 12 -0.907458407149E+02 -0.31140E-02 -0.24079E-03 612 0.272E-01 0.816E-02
DAV: 13 -0.907494653013E+02 -0.36246E-02 -0.12372E-03 633 0.159E-01 0.668E-02
DAV: 14 -0.907534693799E+02 -0.40041E-02 -0.15656E-03 672 0.261E-01 0.522E-02
DAV: 15 -0.907545995082E+02 -0.11301E-02 -0.27175E-04 776 0.112E-01 0.420E-02
DAV: 16 -0.907561101395E+02 -0.15106E-02 -0.49997E-04 690 0.133E-01 0.218E-02
DAV: 17 -0.907567806142E+02 -0.67047E-03 -0.10196E-04 728 0.612E-02 0.125E-02
DAV: 18 -0.907570700322E+02 -0.28942E-03 -0.39083E-05 576 0.260E-02 0.784E-03
DAV: 19 -0.907571884447E+02 -0.11841E-03 -0.13164E-05 448 0.180E-02 0.300E-03
DAV: 20 -0.907572218879E+02 -0.33443E-04 -0.58984E-06 480 0.113E-02 0.220E-03
DAV: 21 -0.907572405643E+02 -0.18676E-04 -0.26909E-06 420 0.686E-03 0.214E-03
DAV: 22 -0.907572433464E+02 -0.27820E-05 -0.84505E-07 488 0.514E-03
1 F= -.90757243E+02 E0= -.90761918E+02 d E =0.140231E-01