iterations/neb0_image09_iter83_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 0.374705752133E+03 0.37471E+03 -0.14281E+04 624 0.799E+02
DAV: 2 0.252636189199E+01 -0.37218E+03 -0.35981E+03 877 0.196E+02
DAV: 3 -0.967558151184E+02 -0.99282E+02 -0.98944E+02 664 0.117E+02
DAV: 4 -0.101238262962E+03 -0.44824E+01 -0.44732E+01 696 0.285E+01
DAV: 5 -0.101327189354E+03 -0.88926E-01 -0.88888E-01 736 0.362E+00 0.227E+01
DAV: 6 -0.926698114931E+02 0.86574E+01 -0.30858E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918009613749E+02 0.86885E+00 -0.17162E+00 728 0.616E+00 0.480E+00
DAV: 8 -0.914234411725E+02 0.37752E+00 -0.54431E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913409543762E+02 0.82487E-01 -0.13154E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913320512274E+02 0.89031E-02 -0.46444E-02 768 0.113E+00 0.306E-01
DAV: 11 -0.913365551421E+02 -0.45039E-02 -0.13545E-02 613 0.607E-01 0.147E-01
DAV: 12 -0.913394666393E+02 -0.29115E-02 -0.30467E-03 623 0.243E-01 0.116E-01
DAV: 13 -0.913433471251E+02 -0.38805E-02 -0.17221E-03 717 0.227E-01 0.440E-02
DAV: 14 -0.913467374350E+02 -0.33903E-02 -0.55890E-04 664 0.127E-01 0.332E-02
DAV: 15 -0.913482738589E+02 -0.15364E-02 -0.14589E-04 696 0.714E-02 0.345E-02
DAV: 16 -0.913495313919E+02 -0.12575E-02 -0.35131E-04 647 0.944E-02 0.204E-02
DAV: 17 -0.913497755772E+02 -0.24419E-03 -0.47813E-05 672 0.512E-02 0.125E-02
DAV: 18 -0.913500403570E+02 -0.26478E-03 -0.48918E-05 556 0.322E-02 0.108E-02
DAV: 19 -0.913501035847E+02 -0.63228E-04 -0.71840E-06 480 0.177E-02 0.528E-03
DAV: 20 -0.913501378889E+02 -0.34304E-04 -0.13245E-05 437 0.220E-02 0.324E-03
DAV: 21 -0.913501590313E+02 -0.21142E-04 -0.32884E-06 450 0.929E-03 0.280E-03
DAV: 22 -0.913501628914E+02 -0.38601E-05 -0.10716E-06 480 0.604E-03
1 F= -.91350163E+02 E0= -.91354886E+02 d E =0.141697E-01