iterations/neb0_image04_iter99_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 0.370418577556E+03 0.37042E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.431063532965E+01 -0.36611E+03 -0.35313E+03 850 0.195E+02
DAV: 3 -0.953712962772E+02 -0.99682E+02 -0.99365E+02 677 0.116E+02
DAV: 4 -0.998137266061E+02 -0.44424E+01 -0.44317E+01 704 0.282E+01
DAV: 5 -0.998996934139E+02 -0.85967E-01 -0.85928E-01 728 0.355E+00 0.222E+01
DAV: 6 -0.914097327696E+02 0.84900E+01 -0.30008E+01 693 0.294E+01 0.116E+01
DAV: 7 -0.905609320419E+02 0.84880E+00 -0.17347E+00 712 0.625E+00 0.479E+00
DAV: 8 -0.901641732645E+02 0.39676E+00 -0.55446E-01 728 0.421E+00 0.165E+00
DAV: 9 -0.900693580622E+02 0.94815E-01 -0.13403E-01 720 0.175E+00 0.436E-01
DAV: 10 -0.900600329858E+02 0.93251E-02 -0.57174E-02 704 0.135E+00 0.349E-01
DAV: 11 -0.900641045113E+02 -0.40715E-02 -0.13718E-02 616 0.686E-01 0.139E-01
DAV: 12 -0.900661091269E+02 -0.20046E-02 -0.46411E-03 647 0.308E-01 0.136E-01
DAV: 13 -0.900697372281E+02 -0.36281E-02 -0.22894E-03 845 0.370E-01 0.750E-02
DAV: 14 -0.900732934795E+02 -0.35563E-02 -0.12605E-03 650 0.170E-01 0.636E-02
DAV: 15 -0.900755996536E+02 -0.23062E-02 -0.32931E-04 733 0.114E-01 0.372E-02
DAV: 16 -0.900772962426E+02 -0.16966E-02 -0.58488E-04 677 0.131E-01 0.323E-02
DAV: 17 -0.900782372189E+02 -0.94098E-03 -0.18113E-04 839 0.870E-02 0.148E-02
DAV: 18 -0.900785474043E+02 -0.31019E-03 -0.47635E-05 600 0.333E-02 0.706E-03
DAV: 19 -0.900787145567E+02 -0.16715E-03 -0.21106E-05 513 0.178E-02 0.506E-03
DAV: 20 -0.900787299204E+02 -0.15364E-04 -0.17606E-06 536 0.817E-03 0.405E-03
DAV: 21 -0.900787753843E+02 -0.45464E-04 -0.64573E-06 403 0.128E-02 0.192E-03
DAV: 22 -0.900787811073E+02 -0.57230E-05 -0.20603E-06 496 0.809E-03
1 F= -.90078781E+02 E0= -.90082796E+02 d E =0.120457E-01