iterations/neb0_image02_iter101_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 0.367738508188E+03 0.36774E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.465309377237E+01 -0.36309E+03 -0.34836E+03 834 0.195E+02
DAV: 3 -0.954720990100E+02 -0.10013E+03 -0.99792E+02 672 0.116E+02
DAV: 4 -0.100157052941E+03 -0.46850E+01 -0.46740E+01 712 0.287E+01
DAV: 5 -0.100249823718E+03 -0.92771E-01 -0.92729E-01 728 0.361E+00 0.222E+01
DAV: 6 -0.916611330702E+02 0.85887E+01 -0.30828E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908388353156E+02 0.82230E+00 -0.18175E+00 704 0.633E+00 0.483E+00
DAV: 8 -0.904533276957E+02 0.38551E+00 -0.56015E-01 688 0.428E+00 0.168E+00
DAV: 9 -0.903646400629E+02 0.88688E-01 -0.13861E-01 704 0.166E+00 0.435E-01
DAV: 10 -0.903583813964E+02 0.62587E-02 -0.47074E-02 704 0.129E+00 0.323E-01
DAV: 11 -0.903619196233E+02 -0.35382E-02 -0.70620E-03 616 0.485E-01 0.152E-01
DAV: 12 -0.903652308451E+02 -0.33112E-02 -0.72417E-03 616 0.473E-01 0.129E-01
DAV: 13 -0.903681881029E+02 -0.29573E-02 -0.14658E-03 976 0.326E-01 0.818E-02
DAV: 14 -0.903711542286E+02 -0.29661E-02 -0.13169E-03 634 0.170E-01 0.560E-02
DAV: 15 -0.903735386445E+02 -0.23844E-02 -0.43079E-04 672 0.118E-01 0.415E-02
DAV: 16 -0.903748568703E+02 -0.13182E-02 -0.56015E-04 664 0.132E-01 0.309E-02
DAV: 17 -0.903757332597E+02 -0.87639E-03 -0.14892E-04 733 0.805E-02 0.189E-02
DAV: 18 -0.903759093301E+02 -0.17607E-03 -0.43040E-05 704 0.335E-02 0.981E-03
DAV: 19 -0.903761156810E+02 -0.20635E-03 -0.32129E-05 548 0.273E-02 0.331E-03
DAV: 20 -0.903761623171E+02 -0.46636E-04 -0.33752E-06 480 0.932E-03 0.384E-03
DAV: 21 -0.903762118279E+02 -0.49511E-04 -0.66873E-06 414 0.137E-02 0.315E-03
DAV: 22 -0.903762221029E+02 -0.10275E-04 -0.28962E-06 477 0.909E-03 0.252E-03
DAV: 23 -0.903762240898E+02 -0.19869E-05 -0.19603E-06 512 0.875E-03
1 F= -.90376224E+02 E0= -.90382242E+02 d E =0.180530E-01