iterations/neb0_image07_iter38_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 0.375850432760E+03 0.37585E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.388940542282E+01 -0.37196E+03 -0.35887E+03 861 0.196E+02
DAV: 3 -0.962080555884E+02 -0.10010E+03 -0.99762E+02 656 0.117E+02
DAV: 4 -0.100729275331E+03 -0.45212E+01 -0.45093E+01 720 0.289E+01
DAV: 5 -0.100818258644E+03 -0.88983E-01 -0.88955E-01 728 0.364E+00 0.229E+01
DAV: 6 -0.921276115958E+02 0.86906E+01 -0.30496E+01 682 0.304E+01 0.120E+01
DAV: 7 -0.912414339518E+02 0.88618E+00 -0.16974E+00 712 0.620E+00 0.481E+00
DAV: 8 -0.908599070316E+02 0.38153E+00 -0.55106E-01 696 0.407E+00 0.164E+00
DAV: 9 -0.907745849547E+02 0.85322E-01 -0.13319E-01 728 0.161E+00 0.433E-01
DAV: 10 -0.907648206686E+02 0.97643E-02 -0.41558E-02 752 0.106E+00 0.298E-01
DAV: 11 -0.907696576923E+02 -0.48370E-02 -0.13885E-02 604 0.669E-01 0.174E-01
DAV: 12 -0.907711398140E+02 -0.14821E-02 -0.21473E-03 656 0.260E-01 0.117E-01
DAV: 13 -0.907759683200E+02 -0.48285E-02 -0.43450E-03 633 0.393E-01 0.803E-02
DAV: 14 -0.907773338427E+02 -0.13655E-02 -0.65230E-04 712 0.184E-01 0.493E-02
DAV: 15 -0.907805145495E+02 -0.31807E-02 -0.99048E-04 687 0.193E-01 0.359E-02
DAV: 16 -0.907816722384E+02 -0.11577E-02 -0.13659E-04 704 0.781E-02 0.295E-02
DAV: 17 -0.907826170779E+02 -0.94484E-03 -0.16271E-04 693 0.741E-02 0.101E-02
DAV: 18 -0.907832026575E+02 -0.58558E-03 -0.75116E-05 669 0.372E-02 0.117E-02
DAV: 19 -0.907833418445E+02 -0.13919E-03 -0.68540E-06 488 0.130E-02 0.863E-03
DAV: 20 -0.907834258852E+02 -0.84041E-04 -0.25836E-05 472 0.278E-02 0.481E-03
DAV: 21 -0.907834305226E+02 -0.46373E-05 -0.28756E-06 536 0.980E-03
1 F= -.90783431E+02 E0= -.90788638E+02 d E =0.156213E-01