iterations/neb0_image01_iter12_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 0.365232304135E+03 0.36523E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.249044589864E+01 -0.36274E+03 -0.35085E+03 847 0.195E+02
DAV: 3 -0.957470839052E+02 -0.98238E+02 -0.97918E+02 680 0.116E+02
DAV: 4 -0.100112346657E+03 -0.43653E+01 -0.43546E+01 704 0.277E+01
DAV: 5 -0.100198226284E+03 -0.85880E-01 -0.85831E-01 728 0.346E+00 0.222E+01
DAV: 6 -0.915191192336E+02 0.86791E+01 -0.31290E+01 696 0.300E+01 0.116E+01
DAV: 7 -0.907190679853E+02 0.80005E+00 -0.18192E+00 712 0.630E+00 0.482E+00
DAV: 8 -0.903416550561E+02 0.37741E+00 -0.55401E-01 720 0.428E+00 0.169E+00
DAV: 9 -0.902561065934E+02 0.85548E-01 -0.13768E-01 736 0.164E+00 0.430E-01
DAV: 10 -0.902507996187E+02 0.53070E-02 -0.46084E-02 712 0.122E+00 0.318E-01
DAV: 11 -0.902547287111E+02 -0.39291E-02 -0.65931E-03 616 0.514E-01 0.132E-01
DAV: 12 -0.902584446018E+02 -0.37159E-02 -0.74713E-03 624 0.470E-01 0.140E-01
DAV: 13 -0.902608589643E+02 -0.24144E-02 -0.21218E-03 840 0.368E-01 0.724E-02
DAV: 14 -0.902638165045E+02 -0.29575E-02 -0.12707E-03 629 0.162E-01 0.599E-02
DAV: 15 -0.902658297439E+02 -0.20132E-02 -0.30545E-04 680 0.906E-02 0.478E-02
DAV: 16 -0.902671829880E+02 -0.13532E-02 -0.72869E-04 661 0.160E-01 0.311E-02
DAV: 17 -0.902678655950E+02 -0.68261E-03 -0.92561E-05 677 0.598E-02 0.290E-02
DAV: 18 -0.902682513478E+02 -0.38575E-03 -0.12208E-04 650 0.598E-02 0.842E-03
DAV: 19 -0.902683489860E+02 -0.97638E-04 -0.24479E-05 536 0.294E-02 0.769E-03
DAV: 20 -0.902684070356E+02 -0.58050E-04 -0.10251E-05 431 0.160E-02 0.805E-03
DAV: 21 -0.902684440585E+02 -0.37023E-04 -0.66469E-06 458 0.184E-02 0.332E-03
DAV: 22 -0.902684540090E+02 -0.99505E-05 -0.92951E-06 480 0.164E-02
1 F= -.90268454E+02 E0= -.90275281E+02 d E =0.204803E-01