iterations/neb0_image01_iter40_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 0.366928843665E+03 0.36693E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.349502863867E+01 -0.36343E+03 -0.35001E+03 839 0.195E+02
DAV: 3 -0.956310496062E+02 -0.99126E+02 -0.98784E+02 669 0.116E+02
DAV: 4 -0.100206796535E+03 -0.45757E+01 -0.45659E+01 693 0.287E+01
DAV: 5 -0.100297723740E+03 -0.90927E-01 -0.90874E-01 736 0.361E+00 0.223E+01
DAV: 6 -0.916675041760E+02 0.86302E+01 -0.31042E+01 704 0.298E+01 0.117E+01
DAV: 7 -0.908477931630E+02 0.81971E+00 -0.18377E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904661643633E+02 0.38163E+00 -0.56071E-01 704 0.429E+00 0.168E+00
DAV: 9 -0.903803476731E+02 0.85817E-01 -0.13722E-01 696 0.165E+00 0.429E-01
DAV: 10 -0.903745970618E+02 0.57506E-02 -0.45040E-02 736 0.125E+00 0.315E-01
DAV: 11 -0.903784298336E+02 -0.38328E-02 -0.66967E-03 605 0.475E-01 0.144E-01
DAV: 12 -0.903818858272E+02 -0.34560E-02 -0.66615E-03 618 0.473E-01 0.125E-01
DAV: 13 -0.903846513679E+02 -0.27655E-02 -0.12291E-03 821 0.294E-01 0.760E-02
DAV: 14 -0.903876047162E+02 -0.29533E-02 -0.14808E-03 637 0.184E-01 0.580E-02
DAV: 15 -0.903897927570E+02 -0.21880E-02 -0.40673E-04 728 0.128E-01 0.430E-02
DAV: 16 -0.903910265662E+02 -0.12338E-02 -0.61506E-04 661 0.141E-01 0.330E-02
DAV: 17 -0.903919010691E+02 -0.87450E-03 -0.16324E-04 751 0.875E-02 0.204E-02
DAV: 18 -0.903920670617E+02 -0.16599E-03 -0.39543E-05 704 0.318E-02 0.130E-02
DAV: 19 -0.903923335158E+02 -0.26645E-03 -0.56549E-05 624 0.378E-02 0.481E-03
DAV: 20 -0.903923699034E+02 -0.36388E-04 -0.39690E-06 480 0.120E-02 0.472E-03
DAV: 21 -0.903924155419E+02 -0.45638E-04 -0.69299E-06 416 0.153E-02 0.339E-03
DAV: 22 -0.903924332513E+02 -0.17709E-04 -0.34339E-06 477 0.103E-02 0.218E-03
DAV: 23 -0.903924356281E+02 -0.23768E-05 -0.18514E-06 520 0.781E-03
1 F= -.90392436E+02 E0= -.90398120E+02 d E =0.170525E-01