./iterations/neb0_image05_iter278_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 0.368078963825E+03 0.36808E+03 -0.14312E+04 624 0.799E+02
DAV: 2 0.417723682766E+01 -0.36390E+03 -0.35080E+03 845 0.196E+02
DAV: 3 -0.952381385887E+02 -0.99415E+02 -0.99067E+02 637 0.117E+02
DAV: 4 -0.100152737068E+03 -0.49146E+01 -0.49021E+01 704 0.302E+01
DAV: 5 -0.100251591535E+03 -0.98854E-01 -0.98810E-01 720 0.384E+00 0.223E+01
DAV: 6 -0.915909027179E+02 0.86607E+01 -0.31002E+01 688 0.300E+01 0.118E+01
DAV: 7 -0.907624300032E+02 0.82847E+00 -0.17486E+00 712 0.630E+00 0.483E+00
DAV: 8 -0.903828833643E+02 0.37955E+00 -0.54621E-01 720 0.432E+00 0.171E+00
DAV: 9 -0.902982715069E+02 0.84612E-01 -0.12285E-01 728 0.187E+00 0.496E-01
DAV: 10 -0.902890498977E+02 0.92216E-02 -0.23346E-02 720 0.848E-01 0.312E-01
DAV: 11 -0.902897293589E+02 -0.67946E-03 -0.10996E-02 672 0.535E-01 0.206E-01
DAV: 12 -0.902921729870E+02 -0.24436E-02 -0.22074E-03 776 0.382E-01 0.112E-01
DAV: 13 -0.902960360608E+02 -0.38631E-02 -0.27652E-03 648 0.302E-01 0.112E-01
DAV: 14 -0.902988937105E+02 -0.28576E-02 -0.15502E-03 853 0.251E-01 0.501E-02
DAV: 15 -0.903021034541E+02 -0.32097E-02 -0.64789E-04 662 0.120E-01 0.354E-02
DAV: 16 -0.903047016821E+02 -0.25982E-02 -0.33440E-04 677 0.840E-02 0.216E-02
DAV: 17 -0.903059375988E+02 -0.12359E-02 -0.14410E-04 682 0.502E-02 0.144E-02
DAV: 18 -0.903065093762E+02 -0.57178E-03 -0.79408E-05 656 0.438E-02 0.978E-03
DAV: 19 -0.903066650932E+02 -0.15572E-03 -0.38812E-05 656 0.311E-02 0.795E-03
DAV: 20 -0.903067132063E+02 -0.48113E-04 -0.67880E-06 466 0.207E-02 0.319E-03
DAV: 21 -0.903067412408E+02 -0.28034E-04 -0.13498E-05 463 0.190E-02 0.448E-03
DAV: 22 -0.903067449964E+02 -0.37556E-05 -0.15616E-06 490 0.865E-03
1 F= -.90306745E+02 E0= -.90314728E+02 d E =0.239500E-01