./iterations/neb0_image01_iter104_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 0.366233152241E+03 0.36623E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.339085147348E+01 -0.36284E+03 -0.34952E+03 839 0.195E+02
DAV: 3 -0.956664679976E+02 -0.99057E+02 -0.98714E+02 677 0.116E+02
DAV: 4 -0.100180173362E+03 -0.45137E+01 -0.45041E+01 693 0.283E+01
DAV: 5 -0.100270614520E+03 -0.90441E-01 -0.90388E-01 744 0.355E+00 0.222E+01
DAV: 6 -0.916764735644E+02 0.85941E+01 -0.31084E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908695287672E+02 0.80694E+00 -0.18152E+00 720 0.636E+00 0.484E+00
DAV: 8 -0.904906012189E+02 0.37893E+00 -0.55728E-01 712 0.428E+00 0.167E+00
DAV: 9 -0.904064416530E+02 0.84160E-01 -0.13496E-01 704 0.164E+00 0.427E-01
DAV: 10 -0.904012004757E+02 0.52412E-02 -0.45579E-02 720 0.124E+00 0.316E-01
DAV: 11 -0.904050723934E+02 -0.38719E-02 -0.66975E-03 608 0.481E-01 0.140E-01
DAV: 12 -0.904086279686E+02 -0.35556E-02 -0.69563E-03 629 0.481E-01 0.128E-01
DAV: 13 -0.904112953741E+02 -0.26674E-02 -0.14521E-03 848 0.311E-01 0.762E-02
DAV: 14 -0.904142453333E+02 -0.29500E-02 -0.14016E-03 634 0.178E-01 0.588E-02
DAV: 15 -0.904163002636E+02 -0.20549E-02 -0.38356E-04 680 0.119E-01 0.455E-02
DAV: 16 -0.904176341489E+02 -0.13339E-02 -0.75609E-04 653 0.161E-01 0.354E-02
DAV: 17 -0.904184470107E+02 -0.81286E-03 -0.17435E-04 837 0.934E-02 0.212E-02
DAV: 18 -0.904186035778E+02 -0.15657E-03 -0.39892E-05 696 0.322E-02 0.136E-02
DAV: 19 -0.904188576368E+02 -0.25406E-03 -0.64686E-05 633 0.413E-02 0.605E-03
DAV: 20 -0.904188756809E+02 -0.18044E-04 -0.50980E-06 496 0.141E-02 0.617E-03
DAV: 21 -0.904189124937E+02 -0.36813E-04 -0.62811E-06 411 0.156E-02 0.428E-03
DAV: 22 -0.904189330469E+02 -0.20553E-04 -0.38150E-06 477 0.112E-02 0.281E-03
DAV: 23 -0.904189355558E+02 -0.25089E-05 -0.30189E-06 528 0.972E-03
1 F= -.90418936E+02 E0= -.90424018E+02 d E =0.152466E-01