./iterations/neb0_image08_iter119_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 0.375187097416E+03 0.37519E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.329989713096E+01 -0.37189E+03 -0.35904E+03 869 0.196E+02
DAV: 3 -0.967677120753E+02 -0.10007E+03 -0.99729E+02 677 0.117E+02
DAV: 4 -0.101172713599E+03 -0.44050E+01 -0.43944E+01 704 0.278E+01
DAV: 5 -0.101259853713E+03 -0.87140E-01 -0.87107E-01 736 0.352E+00 0.227E+01
DAV: 6 -0.926188713809E+02 0.86410E+01 -0.30841E+01 714 0.302E+01 0.119E+01
DAV: 7 -0.917551548136E+02 0.86372E+00 -0.17115E+00 720 0.615E+00 0.480E+00
DAV: 8 -0.913780450539E+02 0.37711E+00 -0.55056E-01 704 0.400E+00 0.163E+00
DAV: 9 -0.912952430032E+02 0.82802E-01 -0.13160E-01 712 0.157E+00 0.424E-01
DAV: 10 -0.912864015221E+02 0.88415E-02 -0.46690E-02 768 0.113E+00 0.306E-01
DAV: 11 -0.912911327295E+02 -0.47312E-02 -0.14004E-02 613 0.617E-01 0.153E-01
DAV: 12 -0.912939307581E+02 -0.27980E-02 -0.29135E-03 608 0.251E-01 0.115E-01
DAV: 13 -0.912975194124E+02 -0.35887E-02 -0.15426E-03 679 0.212E-01 0.461E-02
DAV: 14 -0.913009245168E+02 -0.34051E-02 -0.71042E-04 656 0.158E-01 0.358E-02
DAV: 15 -0.913023530920E+02 -0.14286E-02 -0.21109E-04 672 0.923E-02 0.409E-02
DAV: 16 -0.913036494647E+02 -0.12964E-02 -0.39316E-04 650 0.104E-01 0.198E-02
DAV: 17 -0.913040467043E+02 -0.39724E-03 -0.68496E-05 672 0.592E-02 0.140E-02
DAV: 18 -0.913043043367E+02 -0.25763E-03 -0.46115E-05 653 0.319E-02 0.120E-02
DAV: 19 -0.913044129784E+02 -0.10864E-03 -0.12130E-05 464 0.180E-02 0.596E-03
DAV: 20 -0.913044481140E+02 -0.35136E-04 -0.90122E-06 472 0.190E-02 0.208E-03
DAV: 21 -0.913044706667E+02 -0.22553E-04 -0.62514E-06 412 0.130E-02 0.313E-03
DAV: 22 -0.913044749191E+02 -0.42524E-05 -0.10421E-06 480 0.501E-03
1 F= -.91304475E+02 E0= -.91309552E+02 d E =0.152303E-01