iterations/neb0_image09_iter29_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 0.374957825406E+03 0.37496E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.207886507743E+01 -0.37288E+03 -0.36035E+03 885 0.196E+02
DAV: 3 -0.967822277053E+02 -0.98861E+02 -0.98535E+02 664 0.116E+02
DAV: 4 -0.101225950573E+03 -0.44437E+01 -0.44343E+01 688 0.284E+01
DAV: 5 -0.101313494024E+03 -0.87543E-01 -0.87502E-01 736 0.360E+00 0.227E+01
DAV: 6 -0.926388288212E+02 0.86747E+01 -0.30848E+01 704 0.301E+01 0.119E+01
DAV: 7 -0.917677831180E+02 0.87105E+00 -0.17184E+00 728 0.617E+00 0.479E+00
DAV: 8 -0.913935364685E+02 0.37425E+00 -0.53982E-01 712 0.395E+00 0.164E+00
DAV: 9 -0.913112256569E+02 0.82311E-01 -0.13082E-01 704 0.154E+00 0.423E-01
DAV: 10 -0.913025109535E+02 0.87147E-02 -0.43960E-02 752 0.109E+00 0.301E-01
DAV: 11 -0.913071702848E+02 -0.46593E-02 -0.13585E-02 616 0.603E-01 0.154E-01
DAV: 12 -0.913100236572E+02 -0.28534E-02 -0.26978E-03 631 0.233E-01 0.107E-01
DAV: 13 -0.913139601150E+02 -0.39365E-02 -0.19133E-03 677 0.227E-01 0.467E-02
DAV: 14 -0.913174347660E+02 -0.34747E-02 -0.72395E-04 653 0.165E-01 0.294E-02
DAV: 15 -0.913186305286E+02 -0.11958E-02 -0.18490E-04 696 0.799E-02 0.274E-02
DAV: 16 -0.913197417342E+02 -0.11112E-02 -0.23077E-04 671 0.877E-02 0.154E-02
DAV: 17 -0.913202154879E+02 -0.47375E-03 -0.43192E-05 672 0.385E-02 0.138E-02
DAV: 18 -0.913203889509E+02 -0.17346E-03 -0.42901E-05 680 0.378E-02 0.109E-02
DAV: 19 -0.913205320022E+02 -0.14305E-03 -0.20809E-05 442 0.265E-02 0.265E-03
DAV: 20 -0.913205611581E+02 -0.29156E-04 -0.59104E-06 488 0.113E-02 0.190E-03
DAV: 21 -0.913205862329E+02 -0.25075E-04 -0.31071E-06 395 0.829E-03 0.905E-04
DAV: 22 -0.913205931272E+02 -0.68943E-05 -0.12085E-06 477 0.466E-03
1 F= -.91320593E+02 E0= -.91325494E+02 d E =0.147038E-01