iterations/neb0_image06_iter141_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 0.370826872101E+03 0.37083E+03 -0.14340E+04 640 0.799E+02
DAV: 2 0.356309463690E+01 -0.36726E+03 -0.35510E+03 877 0.193E+02
DAV: 3 -0.959317880593E+02 -0.99495E+02 -0.99167E+02 704 0.116E+02
DAV: 4 -0.100328875030E+03 -0.43971E+01 -0.43845E+01 696 0.272E+01
DAV: 5 -0.100416605439E+03 -0.87730E-01 -0.87692E-01 736 0.342E+00 0.225E+01
DAV: 6 -0.919121988941E+02 0.85044E+01 -0.30518E+01 701 0.302E+01 0.117E+01
DAV: 7 -0.910941140365E+02 0.81808E+00 -0.17040E+00 720 0.628E+00 0.481E+00
DAV: 8 -0.907146907658E+02 0.37942E+00 -0.55111E-01 712 0.409E+00 0.165E+00
DAV: 9 -0.906258522402E+02 0.88839E-01 -0.13006E-01 728 0.164E+00 0.427E-01
DAV: 10 -0.906158688721E+02 0.99834E-02 -0.36630E-02 752 0.979E-01 0.286E-01
DAV: 11 -0.906195520143E+02 -0.36831E-02 -0.89243E-03 599 0.507E-01 0.138E-01
DAV: 12 -0.906219566749E+02 -0.24047E-02 -0.19107E-03 661 0.254E-01 0.909E-02
DAV: 13 -0.906262054891E+02 -0.42488E-02 -0.16317E-03 627 0.215E-01 0.747E-02
DAV: 14 -0.906286141242E+02 -0.24086E-02 -0.70276E-04 696 0.151E-01 0.281E-02
DAV: 15 -0.906314936145E+02 -0.28795E-02 -0.39268E-04 615 0.966E-02 0.319E-02
DAV: 16 -0.906328547695E+02 -0.13612E-02 -0.11576E-04 677 0.545E-02 0.158E-02
DAV: 17 -0.906336769658E+02 -0.82220E-03 -0.12978E-04 639 0.531E-02 0.131E-02
DAV: 18 -0.906338946494E+02 -0.21768E-03 -0.21741E-05 536 0.321E-02 0.908E-03
DAV: 19 -0.906339934179E+02 -0.98768E-04 -0.32254E-05 615 0.309E-02 0.813E-03
DAV: 20 -0.906340245055E+02 -0.31088E-04 -0.87699E-06 504 0.259E-02 0.290E-03
DAV: 21 -0.906340511381E+02 -0.26633E-04 -0.46628E-06 406 0.122E-02 0.122E-03
DAV: 22 -0.906340651735E+02 -0.14035E-04 -0.24181E-06 436 0.735E-03 0.154E-03
DAV: 23 -0.906340679843E+02 -0.28108E-05 -0.58091E-07 480 0.389E-03
1 F= -.90634068E+02 E0= -.90638217E+02 d E =0.124472E-01