iterations/neb0_image04_iter62_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 0.370806648412E+03 0.37081E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.444770688519E+01 -0.36636E+03 -0.35382E+03 853 0.195E+02
DAV: 3 -0.952838222944E+02 -0.99732E+02 -0.99403E+02 682 0.116E+02
DAV: 4 -0.997056559061E+02 -0.44218E+01 -0.44119E+01 712 0.278E+01
DAV: 5 -0.997913704337E+02 -0.85715E-01 -0.85673E-01 720 0.348E+00 0.222E+01
DAV: 6 -0.912978137907E+02 0.84936E+01 -0.30025E+01 682 0.295E+01 0.116E+01
DAV: 7 -0.904533312460E+02 0.84448E+00 -0.17624E+00 712 0.629E+00 0.480E+00
DAV: 8 -0.900559660749E+02 0.39737E+00 -0.55597E-01 704 0.426E+00 0.166E+00
DAV: 9 -0.899605890949E+02 0.95377E-01 -0.13589E-01 712 0.184E+00 0.448E-01
DAV: 10 -0.899500829341E+02 0.10506E-01 -0.56499E-02 720 0.141E+00 0.349E-01
DAV: 11 -0.899537665666E+02 -0.36836E-02 -0.14751E-02 629 0.694E-01 0.148E-01
DAV: 12 -0.899551408909E+02 -0.13743E-02 -0.44040E-03 650 0.317E-01 0.133E-01
DAV: 13 -0.899589148089E+02 -0.37739E-02 -0.31975E-03 853 0.438E-01 0.769E-02
DAV: 14 -0.899625161062E+02 -0.36013E-02 -0.13177E-03 653 0.186E-01 0.655E-02
DAV: 15 -0.899642714675E+02 -0.17554E-02 -0.32160E-04 824 0.123E-01 0.316E-02
DAV: 16 -0.899662394357E+02 -0.19680E-02 -0.46835E-04 658 0.117E-01 0.276E-02
DAV: 17 -0.899671926613E+02 -0.95323E-03 -0.80328E-05 680 0.445E-02 0.236E-02
DAV: 18 -0.899676088380E+02 -0.41618E-03 -0.11310E-04 653 0.617E-02 0.850E-03
DAV: 19 -0.899677407534E+02 -0.13192E-03 -0.10476E-05 488 0.204E-02 0.544E-03
DAV: 20 -0.899678248604E+02 -0.84107E-04 -0.12537E-05 434 0.164E-02 0.339E-03
DAV: 21 -0.899678624044E+02 -0.37544E-04 -0.43583E-06 461 0.806E-03 0.256E-03
DAV: 22 -0.899678744287E+02 -0.12024E-04 -0.23221E-06 464 0.756E-03 0.914E-04
DAV: 23 -0.899678772659E+02 -0.28372E-05 -0.90614E-07 458 0.520E-03
1 F= -.89967877E+02 E0= -.89972860E+02 d E =0.149478E-01