iterations/neb0_image08_iter100_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 0.375609593927E+03 0.37561E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.354419453975E+01 -0.37207E+03 -0.35894E+03 869 0.196E+02
DAV: 3 -0.967495469546E+02 -0.10029E+03 -0.99953E+02 688 0.117E+02
DAV: 4 -0.101132066753E+03 -0.43825E+01 -0.43724E+01 688 0.275E+01
DAV: 5 -0.101219402173E+03 -0.87335E-01 -0.87297E-01 736 0.347E+00 0.227E+01
DAV: 6 -0.925999344485E+02 0.86195E+01 -0.30771E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.917340246780E+02 0.86591E+00 -0.16912E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.913547995066E+02 0.37923E+00 -0.55849E-01 704 0.403E+00 0.162E+00
DAV: 9 -0.912726550339E+02 0.82144E-01 -0.12968E-01 712 0.156E+00 0.424E-01
DAV: 10 -0.912634963889E+02 0.91586E-02 -0.46660E-02 728 0.113E+00 0.307E-01
DAV: 11 -0.912681392957E+02 -0.46429E-02 -0.13647E-02 624 0.603E-01 0.153E-01
DAV: 12 -0.912710708524E+02 -0.29316E-02 -0.30496E-03 609 0.253E-01 0.121E-01
DAV: 13 -0.912746257867E+02 -0.35549E-02 -0.15074E-03 728 0.222E-01 0.461E-02
DAV: 14 -0.912777461469E+02 -0.31204E-02 -0.63645E-04 645 0.135E-01 0.385E-02
DAV: 15 -0.912796242933E+02 -0.18781E-02 -0.19220E-04 656 0.794E-02 0.413E-02
DAV: 16 -0.912808985002E+02 -0.12742E-02 -0.38511E-04 650 0.991E-02 0.198E-02
DAV: 17 -0.912812672654E+02 -0.36877E-03 -0.70840E-05 744 0.594E-02 0.144E-02
DAV: 18 -0.912815292927E+02 -0.26203E-03 -0.46306E-05 631 0.316E-02 0.130E-02
DAV: 19 -0.912816077777E+02 -0.78485E-04 -0.10031E-05 464 0.202E-02 0.638E-03
DAV: 20 -0.912816431810E+02 -0.35403E-04 -0.16401E-05 464 0.253E-02 0.332E-03
DAV: 21 -0.912816622951E+02 -0.19114E-04 -0.32868E-06 440 0.979E-03 0.316E-03
DAV: 22 -0.912816713996E+02 -0.91045E-05 -0.15414E-06 448 0.713E-03
1 F= -.91281671E+02 E0= -.91286716E+02 d E =0.151325E-01