./iterations/neb0_image08_iter175_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 0.373860493926E+03 0.37386E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.357301979000E+01 -0.37029E+03 -0.35815E+03 863 0.196E+02
DAV: 3 -0.967365956030E+02 -0.10031E+03 -0.10000E+03 677 0.117E+02
DAV: 4 -0.101243196620E+03 -0.45066E+01 -0.44939E+01 712 0.283E+01
DAV: 5 -0.101331710962E+03 -0.88514E-01 -0.88458E-01 712 0.359E+00 0.227E+01
DAV: 6 -0.926576019925E+02 0.86741E+01 -0.30946E+01 725 0.300E+01 0.119E+01
DAV: 7 -0.917880944713E+02 0.86951E+00 -0.17283E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914125949291E+02 0.37550E+00 -0.54786E-01 720 0.398E+00 0.161E+00
DAV: 9 -0.913329362360E+02 0.79659E-01 -0.12976E-01 720 0.154E+00 0.421E-01
DAV: 10 -0.913248495698E+02 0.80867E-02 -0.43741E-02 760 0.109E+00 0.299E-01
DAV: 11 -0.913295333221E+02 -0.46838E-02 -0.12581E-02 608 0.584E-01 0.140E-01
DAV: 12 -0.913325143387E+02 -0.29810E-02 -0.27584E-03 633 0.255E-01 0.985E-02
DAV: 13 -0.913358275237E+02 -0.33132E-02 -0.12745E-03 634 0.181E-01 0.460E-02
DAV: 14 -0.913393295945E+02 -0.35021E-02 -0.94396E-04 757 0.208E-01 0.430E-02
DAV: 15 -0.913402139198E+02 -0.88433E-03 -0.24897E-04 704 0.108E-01 0.350E-02
DAV: 16 -0.913413477640E+02 -0.11338E-02 -0.25176E-04 685 0.856E-02 0.119E-02
DAV: 17 -0.913421442132E+02 -0.79645E-03 -0.78087E-05 656 0.391E-02 0.137E-02
DAV: 18 -0.913424349936E+02 -0.29078E-03 -0.39012E-05 600 0.324E-02 0.843E-03
DAV: 19 -0.913425155462E+02 -0.80553E-04 -0.21585E-05 520 0.254E-02 0.634E-03
DAV: 20 -0.913425440869E+02 -0.28541E-04 -0.41490E-06 447 0.115E-02 0.480E-03
DAV: 21 -0.913425559313E+02 -0.11844E-04 -0.34019E-06 464 0.120E-02 0.176E-03
DAV: 22 -0.913425628853E+02 -0.69540E-05 -0.18129E-06 409 0.709E-03
1 F= -.91342563E+02 E0= -.91347727E+02 d E =0.154923E-01