./iterations/neb0_image02_iter178_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 0.366605359534E+03 0.36661E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.178157673758E+01 -0.36482E+03 -0.35351E+03 861 0.195E+02
DAV: 3 -0.958363305571E+02 -0.97618E+02 -0.97285E+02 664 0.116E+02
DAV: 4 -0.100216352675E+03 -0.43800E+01 -0.43702E+01 720 0.282E+01
DAV: 5 -0.100300702864E+03 -0.84350E-01 -0.84323E-01 744 0.353E+00 0.222E+01
DAV: 6 -0.916683041371E+02 0.86324E+01 -0.31074E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908586634136E+02 0.80964E+00 -0.18352E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904789244867E+02 0.37974E+00 -0.55173E-01 704 0.430E+00 0.170E+00
DAV: 9 -0.903918665549E+02 0.87058E-01 -0.13724E-01 712 0.168E+00 0.430E-01
DAV: 10 -0.903864046059E+02 0.54619E-02 -0.49810E-02 712 0.128E+00 0.331E-01
DAV: 11 -0.903898957740E+02 -0.34912E-02 -0.75997E-03 616 0.575E-01 0.128E-01
DAV: 12 -0.903930458322E+02 -0.31501E-02 -0.73150E-03 648 0.444E-01 0.137E-01
DAV: 13 -0.903955879383E+02 -0.25421E-02 -0.19780E-03 872 0.350E-01 0.818E-02
DAV: 14 -0.903987523538E+02 -0.31644E-02 -0.13914E-03 623 0.174E-01 0.692E-02
DAV: 15 -0.904006567770E+02 -0.19044E-02 -0.33988E-04 680 0.106E-01 0.528E-02
DAV: 16 -0.904021417791E+02 -0.14850E-02 -0.10298E-03 677 0.188E-01 0.395E-02
DAV: 17 -0.904028616402E+02 -0.71986E-03 -0.14478E-04 696 0.821E-02 0.279E-02
DAV: 18 -0.904031560567E+02 -0.29442E-03 -0.94788E-05 680 0.482E-02 0.929E-03
DAV: 19 -0.904033404423E+02 -0.18439E-03 -0.40912E-05 647 0.319E-02 0.749E-03
DAV: 20 -0.904033703098E+02 -0.29868E-04 -0.33117E-06 520 0.133E-02 0.558E-03
DAV: 21 -0.904034252762E+02 -0.54966E-04 -0.10797E-05 417 0.165E-02 0.358E-03
DAV: 22 -0.904034337534E+02 -0.84771E-05 -0.36710E-06 488 0.110E-02
1 F= -.90403434E+02 E0= -.90410291E+02 d E =0.205716E-01