iterations/neb0_image07_iter30_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 0.374739290516E+03 0.37474E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.360288445531E+01 -0.37114E+03 -0.35814E+03 861 0.196E+02
DAV: 3 -0.963337073349E+02 -0.99937E+02 -0.99596E+02 672 0.117E+02
DAV: 4 -0.100634877484E+03 -0.43012E+01 -0.42896E+01 728 0.279E+01
DAV: 5 -0.100716738453E+03 -0.81861E-01 -0.81837E-01 728 0.349E+00 0.228E+01
DAV: 6 -0.919374608198E+02 0.87793E+01 -0.30645E+01 668 0.303E+01 0.119E+01
DAV: 7 -0.910377395124E+02 0.89972E+00 -0.17245E+00 720 0.628E+00 0.481E+00
DAV: 8 -0.906550346887E+02 0.38270E+00 -0.56626E-01 704 0.410E+00 0.166E+00
DAV: 9 -0.905675292049E+02 0.87505E-01 -0.13249E-01 704 0.155E+00 0.437E-01
DAV: 10 -0.905569374698E+02 0.10592E-01 -0.41973E-02 736 0.104E+00 0.297E-01
DAV: 11 -0.905617572385E+02 -0.48198E-02 -0.12138E-02 605 0.590E-01 0.164E-01
DAV: 12 -0.905640161098E+02 -0.22589E-02 -0.20180E-03 663 0.212E-01 0.114E-01
DAV: 13 -0.905689255401E+02 -0.49094E-02 -0.31540E-03 625 0.294E-01 0.657E-02
DAV: 14 -0.905706465136E+02 -0.17210E-02 -0.36473E-04 712 0.135E-01 0.337E-02
DAV: 15 -0.905739860311E+02 -0.33395E-02 -0.75582E-04 641 0.141E-01 0.327E-02
DAV: 16 -0.905743739927E+02 -0.38796E-03 -0.58604E-05 752 0.624E-02 0.201E-02
DAV: 17 -0.905752687384E+02 -0.89475E-03 -0.21286E-04 659 0.924E-02 0.157E-02
DAV: 18 -0.905756154815E+02 -0.34674E-03 -0.38422E-05 693 0.364E-02 0.119E-02
DAV: 19 -0.905757573115E+02 -0.14183E-03 -0.21649E-05 519 0.230E-02 0.463E-03
DAV: 20 -0.905758173814E+02 -0.60070E-04 -0.11719E-05 482 0.213E-02 0.325E-03
DAV: 21 -0.905758444126E+02 -0.27031E-04 -0.48919E-06 428 0.106E-02 0.369E-03
DAV: 22 -0.905758511879E+02 -0.67752E-05 -0.10401E-06 488 0.564E-03
1 F= -.90575851E+02 E0= -.90581776E+02 d E =0.177734E-01