iterations/neb0_image01_iter251_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 0.365860554460E+03 0.36586E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.330489938498E+01 -0.36256E+03 -0.34934E+03 839 0.196E+02
DAV: 3 -0.955075353243E+02 -0.98812E+02 -0.98466E+02 648 0.116E+02
DAV: 4 -0.100250166767E+03 -0.47426E+01 -0.47304E+01 696 0.297E+01
DAV: 5 -0.100343449901E+03 -0.93283E-01 -0.93239E-01 736 0.376E+00 0.222E+01
DAV: 6 -0.917029692452E+02 0.86405E+01 -0.31007E+01 685 0.300E+01 0.117E+01
DAV: 7 -0.908930388262E+02 0.80993E+00 -0.18330E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.905150333008E+02 0.37801E+00 -0.55315E-01 696 0.429E+00 0.168E+00
DAV: 9 -0.904312444705E+02 0.83789E-01 -0.13475E-01 720 0.165E+00 0.425E-01
DAV: 10 -0.904265513075E+02 0.46932E-02 -0.46709E-02 728 0.125E+00 0.320E-01
DAV: 11 -0.904304299598E+02 -0.38787E-02 -0.68606E-03 608 0.518E-01 0.132E-01
DAV: 12 -0.904340645521E+02 -0.36346E-02 -0.73017E-03 637 0.488E-01 0.136E-01
DAV: 13 -0.904365405405E+02 -0.24760E-02 -0.18015E-03 877 0.328E-01 0.748E-02
DAV: 14 -0.904395930139E+02 -0.30525E-02 -0.13426E-03 642 0.177E-01 0.637E-02
DAV: 15 -0.904414520476E+02 -0.18590E-02 -0.35195E-04 680 0.109E-01 0.510E-02
DAV: 16 -0.904429087965E+02 -0.14567E-02 -0.95188E-04 666 0.186E-01 0.363E-02
DAV: 17 -0.904436532008E+02 -0.74440E-03 -0.12719E-04 672 0.769E-02 0.305E-02
DAV: 18 -0.904439524419E+02 -0.29924E-03 -0.12226E-04 656 0.583E-02 0.105E-02
DAV: 19 -0.904440954924E+02 -0.14305E-03 -0.38633E-05 637 0.317E-02 0.806E-03
DAV: 20 -0.904441295656E+02 -0.34073E-04 -0.37698E-06 488 0.144E-02 0.901E-03
DAV: 21 -0.904441663786E+02 -0.36813E-04 -0.80623E-06 420 0.199E-02 0.455E-03
DAV: 22 -0.904441720890E+02 -0.57104E-05 -0.71846E-06 496 0.146E-02
1 F= -.90444172E+02 E0= -.90449887E+02 d E =0.171440E-01