iterations/neb0_image05_iter1_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 0.371518192370E+03 0.37152E+03 -0.14256E+04 624 0.799E+02
DAV: 2 0.102575902475E+02 -0.36126E+03 -0.34887E+03 848 0.194E+02
DAV: 3 -0.902754628123E+02 -0.10053E+03 -0.99783E+02 696 0.117E+02
DAV: 4 -0.948912856350E+02 -0.46158E+01 -0.46016E+01 712 0.280E+01
DAV: 5 -0.949847669850E+02 -0.93481E-01 -0.93448E-01 736 0.353E+00 0.237E+01
DAV: 6 -0.851672519861E+02 0.98175E+01 -0.34232E+01 685 0.328E+01 0.124E+01
DAV: 7 -0.842512930199E+02 0.91596E+00 -0.22548E+00 720 0.810E+00 0.532E+00
DAV: 8 -0.838290512486E+02 0.42224E+00 -0.90928E-01 712 0.540E+00 0.178E+00
DAV: 9 -0.837688455798E+02 0.60206E-01 -0.15641E-01 720 0.202E+00 0.747E-01
DAV: 10 -0.837491667263E+02 0.19679E-01 -0.46048E-02 696 0.112E+00 0.364E-01
DAV: 11 -0.837482022363E+02 0.96449E-03 -0.92466E-03 672 0.512E-01 0.173E-01
DAV: 12 -0.837510044581E+02 -0.28022E-02 -0.44250E-03 602 0.403E-01 0.122E-01
DAV: 13 -0.837550876686E+02 -0.40832E-02 -0.13285E-03 679 0.230E-01 0.752E-02
DAV: 14 -0.837583893903E+02 -0.33017E-02 -0.10203E-03 619 0.171E-01 0.461E-02
DAV: 15 -0.837603576172E+02 -0.19682E-02 -0.34150E-04 669 0.109E-01 0.315E-02
DAV: 16 -0.837622426922E+02 -0.18851E-02 -0.33654E-04 663 0.107E-01 0.244E-02
DAV: 17 -0.837632500980E+02 -0.10074E-02 -0.71619E-05 682 0.569E-02 0.132E-02
DAV: 18 -0.837638500677E+02 -0.59997E-03 -0.11137E-04 671 0.577E-02 0.118E-02
DAV: 19 -0.837641226912E+02 -0.27262E-03 -0.30879E-05 527 0.412E-02 0.579E-03
DAV: 20 -0.837642268211E+02 -0.10413E-03 -0.23557E-05 610 0.244E-02 0.643E-03
DAV: 21 -0.837642768841E+02 -0.50063E-04 -0.78660E-06 410 0.189E-02 0.380E-03
DAV: 22 -0.837642965699E+02 -0.19686E-04 -0.80878E-06 471 0.167E-02 0.262E-03
DAV: 23 -0.837643067704E+02 -0.10201E-04 -0.23115E-06 398 0.846E-03 0.213E-03
DAV: 24 -0.837643113522E+02 -0.45818E-05 -0.12104E-06 433 0.548E-03
1 F= -.83764311E+02 E0= -.83768652E+02 d E =0.130213E-01