iterations/neb0_image05_iter193_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 0.368268698701E+03 0.36827E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.320928221744E+01 -0.36506E+03 -0.35224E+03 864 0.195E+02
DAV: 3 -0.954388817763E+02 -0.98648E+02 -0.98319E+02 677 0.116E+02
DAV: 4 -0.999709849155E+02 -0.45321E+01 -0.45210E+01 696 0.280E+01
DAV: 5 -0.100063627295E+03 -0.92642E-01 -0.92593E-01 728 0.352E+00 0.221E+01
DAV: 6 -0.915532573462E+02 0.85104E+01 -0.30820E+01 680 0.299E+01 0.116E+01
DAV: 7 -0.907741539159E+02 0.77910E+00 -0.18397E+00 728 0.638E+00 0.482E+00
DAV: 8 -0.904039207991E+02 0.37023E+00 -0.52427E-01 720 0.421E+00 0.171E+00
DAV: 9 -0.903156857911E+02 0.88235E-01 -0.14043E-01 712 0.171E+00 0.434E-01
DAV: 10 -0.903084258337E+02 0.72600E-02 -0.42146E-02 784 0.123E+00 0.309E-01
DAV: 11 -0.903117226659E+02 -0.32968E-02 -0.72276E-03 608 0.509E-01 0.153E-01
DAV: 12 -0.903141120537E+02 -0.23894E-02 -0.50900E-03 626 0.455E-01 0.105E-01
DAV: 13 -0.903174203051E+02 -0.33083E-02 -0.11764E-03 672 0.214E-01 0.881E-02
DAV: 14 -0.903204379384E+02 -0.30176E-02 -0.15275E-03 652 0.196E-01 0.494E-02
DAV: 15 -0.903232604864E+02 -0.28225E-02 -0.62133E-04 696 0.165E-01 0.387E-02
DAV: 16 -0.903246203194E+02 -0.13598E-02 -0.43501E-04 680 0.106E-01 0.306E-02
DAV: 17 -0.903253432835E+02 -0.72296E-03 -0.17533E-04 733 0.947E-02 0.155E-02
DAV: 18 -0.903255930592E+02 -0.24978E-03 -0.71062E-05 704 0.433E-02 0.149E-02
DAV: 19 -0.903257745893E+02 -0.18153E-03 -0.28142E-05 506 0.308E-02 0.650E-03
DAV: 20 -0.903258600515E+02 -0.85462E-04 -0.14200E-05 480 0.223E-02 0.413E-03
DAV: 21 -0.903258879479E+02 -0.27896E-04 -0.85592E-06 464 0.153E-02 0.392E-03
DAV: 22 -0.903258932117E+02 -0.52638E-05 -0.15163E-06 504 0.872E-03
1 F= -.90325893E+02 E0= -.90332668E+02 d E =0.203257E-01