iterations/neb0_image02_iter276_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 0.365482184524E+03 0.36548E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.147606000645E+01 -0.36401E+03 -0.35238E+03 858 0.195E+02
DAV: 3 -0.957489226023E+02 -0.97225E+02 -0.96894E+02 656 0.116E+02
DAV: 4 -0.100229724108E+03 -0.44808E+01 -0.44700E+01 712 0.286E+01
DAV: 5 -0.100317891310E+03 -0.88167E-01 -0.88135E-01 720 0.359E+00 0.222E+01
DAV: 6 -0.916573592199E+02 0.86605E+01 -0.31065E+01 696 0.300E+01 0.117E+01
DAV: 7 -0.908445430389E+02 0.81282E+00 -0.18151E+00 712 0.635E+00 0.484E+00
DAV: 8 -0.904661306470E+02 0.37841E+00 -0.55059E-01 704 0.429E+00 0.170E+00
DAV: 9 -0.903816709403E+02 0.84460E-01 -0.13568E-01 720 0.168E+00 0.427E-01
DAV: 10 -0.903775667001E+02 0.41042E-02 -0.49068E-02 712 0.128E+00 0.327E-01
DAV: 11 -0.903811997706E+02 -0.36331E-02 -0.76657E-03 621 0.561E-01 0.126E-01
DAV: 12 -0.903846179920E+02 -0.34182E-02 -0.75827E-03 632 0.475E-01 0.142E-01
DAV: 13 -0.903868141936E+02 -0.21962E-02 -0.20885E-03 869 0.346E-01 0.786E-02
DAV: 14 -0.903899319855E+02 -0.31178E-02 -0.14784E-03 615 0.194E-01 0.721E-02
DAV: 15 -0.903915836099E+02 -0.16516E-02 -0.31962E-04 680 0.102E-01 0.619E-02
DAV: 16 -0.903928927382E+02 -0.13091E-02 -0.10568E-03 664 0.202E-01 0.319E-02
DAV: 17 -0.903936737359E+02 -0.78100E-03 -0.14187E-04 656 0.683E-02 0.355E-02
DAV: 18 -0.903940013243E+02 -0.32759E-03 -0.57291E-05 688 0.385E-02 0.241E-02
DAV: 19 -0.903941826149E+02 -0.18129E-03 -0.13138E-04 637 0.668E-02 0.949E-03
DAV: 20 -0.903942188227E+02 -0.36208E-04 -0.11261E-05 504 0.220E-02 0.922E-03
DAV: 21 -0.903942533345E+02 -0.34512E-04 -0.81422E-06 412 0.158E-02 0.551E-03
DAV: 22 -0.903942630643E+02 -0.97298E-05 -0.58329E-06 480 0.152E-02
1 F= -.90394263E+02 E0= -.90399477E+02 d E =0.156417E-01