iterations/neb0_image03_iter133_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 0.366197721009E+03 0.36620E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.207732192156E+01 -0.36412E+03 -0.35298E+03 861 0.195E+02
DAV: 3 -0.958748017895E+02 -0.97952E+02 -0.97640E+02 680 0.116E+02
DAV: 4 -0.100195276750E+03 -0.43205E+01 -0.43108E+01 696 0.275E+01
DAV: 5 -0.100281426858E+03 -0.86150E-01 -0.86114E-01 736 0.347E+00 0.222E+01
DAV: 6 -0.916958501549E+02 0.85856E+01 -0.30707E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.908517187286E+02 0.84413E+00 -0.18236E+00 712 0.645E+00 0.483E+00
DAV: 8 -0.904491245575E+02 0.40259E+00 -0.56901E-01 704 0.443E+00 0.169E+00
DAV: 9 -0.903543861767E+02 0.94738E-01 -0.12827E-01 704 0.196E+00 0.480E-01
DAV: 10 -0.903449049832E+02 0.94812E-02 -0.38289E-02 720 0.965E-01 0.349E-01
DAV: 11 -0.903468960671E+02 -0.19911E-02 -0.86117E-03 736 0.687E-01 0.187E-01
DAV: 12 -0.903487443279E+02 -0.18483E-02 -0.38216E-03 629 0.411E-01 0.121E-01
DAV: 13 -0.903530843738E+02 -0.43400E-02 -0.34065E-03 618 0.294E-01 0.870E-02
DAV: 14 -0.903580433460E+02 -0.49590E-02 -0.12018E-03 647 0.169E-01 0.538E-02
DAV: 15 -0.903597588145E+02 -0.17155E-02 -0.28947E-04 864 0.113E-01 0.246E-02
DAV: 16 -0.903614385046E+02 -0.16797E-02 -0.14777E-04 661 0.606E-02 0.155E-02
DAV: 17 -0.903625590210E+02 -0.11205E-02 -0.88778E-05 616 0.368E-02 0.993E-03
DAV: 18 -0.903630869721E+02 -0.52795E-03 -0.69849E-05 664 0.345E-02 0.631E-03
DAV: 19 -0.903631693623E+02 -0.82390E-04 -0.64990E-06 528 0.179E-02 0.338E-03
DAV: 20 -0.903632604649E+02 -0.91103E-04 -0.15713E-05 441 0.194E-02 0.454E-03
DAV: 21 -0.903632828915E+02 -0.22427E-04 -0.41139E-06 488 0.135E-02 0.299E-03
DAV: 22 -0.903632892120E+02 -0.63204E-05 -0.38919E-06 480 0.129E-02
1 F= -.90363289E+02 E0= -.90371978E+02 d E =0.260674E-01