iterations/neb0_image01_iter154_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 0.365981945212E+03 0.36598E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.322372135941E+01 -0.36276E+03 -0.34988E+03 839 0.196E+02
DAV: 3 -0.955952869211E+02 -0.98819E+02 -0.98470E+02 666 0.116E+02
DAV: 4 -0.100225083611E+03 -0.46298E+01 -0.46186E+01 704 0.287E+01
DAV: 5 -0.100317518560E+03 -0.92435E-01 -0.92389E-01 728 0.361E+00 0.222E+01
DAV: 6 -0.916849717540E+02 0.86325E+01 -0.31010E+01 696 0.299E+01 0.117E+01
DAV: 7 -0.908783043154E+02 0.80667E+00 -0.18280E+00 704 0.639E+00 0.484E+00
DAV: 8 -0.905023704854E+02 0.37593E+00 -0.55484E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904206022369E+02 0.81768E-01 -0.13278E-01 720 0.167E+00 0.423E-01
DAV: 10 -0.904160028615E+02 0.45994E-02 -0.47382E-02 712 0.125E+00 0.322E-01
DAV: 11 -0.904200455774E+02 -0.40427E-02 -0.79267E-03 608 0.568E-01 0.122E-01
DAV: 12 -0.904233854613E+02 -0.33399E-02 -0.64132E-03 632 0.445E-01 0.129E-01
DAV: 13 -0.904258540598E+02 -0.24686E-02 -0.14748E-03 856 0.298E-01 0.762E-02
DAV: 14 -0.904290289405E+02 -0.31749E-02 -0.15419E-03 639 0.201E-01 0.690E-02
DAV: 15 -0.904306402814E+02 -0.16113E-02 -0.31567E-04 696 0.118E-01 0.547E-02
DAV: 16 -0.904319676299E+02 -0.13273E-02 -0.10720E-03 661 0.201E-01 0.384E-02
DAV: 17 -0.904328272263E+02 -0.85960E-03 -0.14970E-04 658 0.841E-02 0.320E-02
DAV: 18 -0.904331354264E+02 -0.30820E-03 -0.69323E-05 672 0.408E-02 0.194E-02
DAV: 19 -0.904333461005E+02 -0.21067E-03 -0.10490E-04 633 0.581E-02 0.958E-03
DAV: 20 -0.904333699409E+02 -0.23840E-04 -0.11484E-05 536 0.226E-02 0.957E-03
DAV: 21 -0.904334059013E+02 -0.35960E-04 -0.80378E-06 407 0.165E-02 0.748E-03
DAV: 22 -0.904334229409E+02 -0.17040E-04 -0.45641E-06 477 0.176E-02 0.381E-03
DAV: 23 -0.904334269587E+02 -0.40178E-05 -0.91980E-06 496 0.168E-02
1 F= -.90433427E+02 E0= -.90438989E+02 d E =0.166852E-01