iterations/neb0_image05_iter100_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 0.373507578265E+03 0.37351E+03 -0.14308E+04 632 0.799E+02
DAV: 2 0.316575344442E+01 -0.37034E+03 -0.35800E+03 890 0.194E+02
DAV: 3 -0.941637256879E+02 -0.97329E+02 -0.96978E+02 626 0.116E+02
DAV: 4 -0.988147128726E+02 -0.46510E+01 -0.46393E+01 704 0.299E+01
DAV: 5 -0.989156524098E+02 -0.10094E+00 -0.10089E+00 728 0.390E+00 0.219E+01
DAV: 6 -0.905580923295E+02 0.83576E+01 -0.28601E+01 690 0.287E+01 0.112E+01
DAV: 7 -0.896691664690E+02 0.88893E+00 -0.18193E+00 728 0.673E+00 0.469E+00
DAV: 8 -0.892748456664E+02 0.39432E+00 -0.63229E-01 712 0.454E+00 0.155E+00
DAV: 9 -0.891923480799E+02 0.82498E-01 -0.12419E-01 728 0.168E+00 0.450E-01
DAV: 10 -0.891802267984E+02 0.12121E-01 -0.53028E-02 728 0.124E+00 0.351E-01
DAV: 11 -0.891817015488E+02 -0.14748E-02 -0.12744E-02 632 0.648E-01 0.124E-01
DAV: 12 -0.891832621006E+02 -0.15606E-02 -0.34302E-03 688 0.322E-01 0.128E-01
DAV: 13 -0.891892401435E+02 -0.59780E-02 -0.35151E-03 690 0.402E-01 0.782E-02
DAV: 14 -0.891918000556E+02 -0.25599E-02 -0.87525E-04 688 0.158E-01 0.576E-02
DAV: 15 -0.891948873129E+02 -0.30873E-02 -0.12435E-03 631 0.204E-01 0.408E-02
DAV: 16 -0.891958480900E+02 -0.96078E-03 -0.14794E-04 760 0.791E-02 0.262E-02
DAV: 17 -0.891970294149E+02 -0.11813E-02 -0.24124E-04 625 0.797E-02 0.111E-02
DAV: 18 -0.891974842551E+02 -0.45484E-03 -0.39791E-05 608 0.347E-02 0.748E-03
DAV: 19 -0.891976575779E+02 -0.17332E-03 -0.22676E-05 528 0.241E-02 0.376E-03
DAV: 20 -0.891977566693E+02 -0.99091E-04 -0.13185E-05 436 0.169E-02 0.381E-03
DAV: 21 -0.891977682872E+02 -0.11618E-04 -0.21443E-06 504 0.736E-03 0.313E-03
DAV: 22 -0.891977752412E+02 -0.69540E-05 -0.35665E-06 418 0.123E-02
1 F= -.89197775E+02 E0= -.89201881E+02 d E =0.123159E-01