iterations/neb0_image07_iter188_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 0.371670606921E+03 0.37167E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.337732253734E+01 -0.36829E+03 -0.35571E+03 869 0.194E+02
DAV: 3 -0.964793966394E+02 -0.99857E+02 -0.99535E+02 680 0.116E+02
DAV: 4 -0.101087676132E+03 -0.46083E+01 -0.45964E+01 696 0.283E+01
DAV: 5 -0.101181910381E+03 -0.94234E-01 -0.94175E-01 728 0.362E+00 0.227E+01
DAV: 6 -0.925738009616E+02 0.86081E+01 -0.30544E+01 736 0.299E+01 0.119E+01
DAV: 7 -0.917180922985E+02 0.85571E+00 -0.17363E+00 712 0.617E+00 0.479E+00
DAV: 8 -0.913470901672E+02 0.37100E+00 -0.52822E-01 728 0.395E+00 0.164E+00
DAV: 9 -0.912656419745E+02 0.81448E-01 -0.13137E-01 728 0.158E+00 0.420E-01
DAV: 10 -0.912572560067E+02 0.83860E-02 -0.42111E-02 741 0.109E+00 0.294E-01
DAV: 11 -0.912615365876E+02 -0.42806E-02 -0.11820E-02 616 0.571E-01 0.140E-01
DAV: 12 -0.912643575672E+02 -0.28210E-02 -0.24521E-03 626 0.253E-01 0.930E-02
DAV: 13 -0.912683029492E+02 -0.39454E-02 -0.16309E-03 634 0.203E-01 0.507E-02
DAV: 14 -0.912711266176E+02 -0.28237E-02 -0.64710E-04 784 0.197E-01 0.391E-02
DAV: 15 -0.912729430196E+02 -0.18164E-02 -0.39844E-04 655 0.105E-01 0.325E-02
DAV: 16 -0.912738373401E+02 -0.89432E-03 -0.13241E-04 752 0.681E-02 0.131E-02
DAV: 17 -0.912747016930E+02 -0.86435E-03 -0.12331E-04 722 0.560E-02 0.140E-02
DAV: 18 -0.912749258947E+02 -0.22420E-03 -0.23113E-05 560 0.342E-02 0.684E-03
DAV: 19 -0.912750327032E+02 -0.10681E-03 -0.28141E-05 618 0.283E-02 0.777E-03
DAV: 20 -0.912750673149E+02 -0.34612E-04 -0.47215E-06 496 0.190E-02 0.323E-03
DAV: 21 -0.912750862186E+02 -0.18904E-04 -0.50580E-06 431 0.118E-02 0.118E-03
DAV: 22 -0.912751015270E+02 -0.15308E-04 -0.17849E-06 409 0.601E-03 0.827E-04
DAV: 23 -0.912751033453E+02 -0.18183E-05 -0.41931E-07 504 0.271E-03
1 F= -.91275103E+02 E0= -.91280380E+02 d E =0.158306E-01