./iterations/neb0_image06_iter223_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 0.370624879409E+03 0.37062E+03 -0.14350E+04 640 0.799E+02
DAV: 2 0.362886775718E+01 -0.36700E+03 -0.35496E+03 869 0.193E+02
DAV: 3 -0.955294169074E+02 -0.99158E+02 -0.98810E+02 656 0.116E+02
DAV: 4 -0.100305351887E+03 -0.47759E+01 -0.47614E+01 728 0.290E+01
DAV: 5 -0.100404428585E+03 -0.99077E-01 -0.99028E-01 736 0.373E+00 0.225E+01
DAV: 6 -0.918365761573E+02 0.85679E+01 -0.30337E+01 704 0.301E+01 0.118E+01
DAV: 7 -0.910023718443E+02 0.83420E+00 -0.17595E+00 712 0.630E+00 0.481E+00
DAV: 8 -0.906249180595E+02 0.37745E+00 -0.56378E-01 704 0.419E+00 0.166E+00
DAV: 9 -0.905361949016E+02 0.88723E-01 -0.12893E-01 720 0.160E+00 0.428E-01
DAV: 10 -0.905260703535E+02 0.10125E-01 -0.35831E-02 744 0.935E-01 0.285E-01
DAV: 11 -0.905301973883E+02 -0.41270E-02 -0.97610E-03 602 0.513E-01 0.152E-01
DAV: 12 -0.905326826930E+02 -0.24853E-02 -0.28218E-03 632 0.304E-01 0.822E-02
DAV: 13 -0.905365904311E+02 -0.39077E-02 -0.16910E-03 633 0.190E-01 0.692E-02
DAV: 14 -0.905400044375E+02 -0.34140E-02 -0.10438E-03 720 0.232E-01 0.390E-02
DAV: 15 -0.905418281459E+02 -0.18237E-02 -0.29273E-04 714 0.100E-01 0.369E-02
DAV: 16 -0.905434235971E+02 -0.15955E-02 -0.36965E-04 695 0.112E-01 0.180E-02
DAV: 17 -0.905441417842E+02 -0.71819E-03 -0.10714E-04 709 0.569E-02 0.130E-02
DAV: 18 -0.905443626639E+02 -0.22088E-03 -0.20363E-05 552 0.190E-02 0.846E-03
DAV: 19 -0.905444972988E+02 -0.13463E-03 -0.23690E-05 487 0.257E-02 0.210E-03
DAV: 20 -0.905445250187E+02 -0.27720E-04 -0.60547E-06 477 0.122E-02 0.369E-03
DAV: 21 -0.905445342931E+02 -0.92744E-05 -0.13779E-06 413 0.593E-03
1 F= -.90544534E+02 E0= -.90549475E+02 d E =0.148220E-01