iterations/neb0_image03_iter32_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 0.368428051909E+03 0.36843E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.328775659413E+01 -0.36514E+03 -0.35244E+03 853 0.195E+02
DAV: 3 -0.954602644401E+02 -0.98748E+02 -0.98424E+02 672 0.116E+02
DAV: 4 -0.999044241802E+02 -0.44442E+01 -0.44342E+01 728 0.283E+01
DAV: 5 -0.999892051101E+02 -0.84781E-01 -0.84740E-01 736 0.353E+00 0.224E+01
DAV: 6 -0.913503351447E+02 0.86389E+01 -0.30387E+01 701 0.297E+01 0.117E+01
DAV: 7 -0.904756863129E+02 0.87465E+00 -0.18087E+00 712 0.639E+00 0.483E+00
DAV: 8 -0.900700973278E+02 0.40559E+00 -0.58874E-01 704 0.438E+00 0.166E+00
DAV: 9 -0.899781756289E+02 0.91922E-01 -0.14075E-01 720 0.168E+00 0.444E-01
DAV: 10 -0.899701713277E+02 0.80043E-02 -0.44394E-02 720 0.119E+00 0.329E-01
DAV: 11 -0.899737208403E+02 -0.35495E-02 -0.69035E-03 605 0.506E-01 0.121E-01
DAV: 12 -0.899765573759E+02 -0.28365E-02 -0.50063E-03 637 0.323E-01 0.120E-01
DAV: 13 -0.899802886683E+02 -0.37313E-02 -0.14091E-03 832 0.299E-01 0.715E-02
DAV: 14 -0.899836787892E+02 -0.33901E-02 -0.95381E-04 639 0.137E-01 0.483E-02
DAV: 15 -0.899862888664E+02 -0.26101E-02 -0.38635E-04 685 0.108E-01 0.276E-02
DAV: 16 -0.899879306389E+02 -0.16418E-02 -0.36198E-04 669 0.974E-02 0.295E-02
DAV: 17 -0.899883450565E+02 -0.41442E-03 -0.73777E-05 704 0.587E-02 0.148E-02
DAV: 18 -0.899887779911E+02 -0.43293E-03 -0.11499E-04 650 0.554E-02 0.124E-02
DAV: 19 -0.899888243097E+02 -0.46319E-04 -0.56968E-06 496 0.209E-02 0.863E-03
DAV: 20 -0.899889034325E+02 -0.79123E-04 -0.35154E-05 634 0.367E-02 0.687E-03
DAV: 21 -0.899889352956E+02 -0.31863E-04 -0.83089E-06 472 0.276E-02 0.201E-03
DAV: 22 -0.899889590919E+02 -0.23796E-04 -0.85040E-06 431 0.143E-02 0.374E-03
DAV: 23 -0.899889667608E+02 -0.76689E-05 -0.11766E-06 461 0.501E-03
1 F= -.89988967E+02 E0= -.89997484E+02 d E =0.255532E-01