iterations/neb0_image03_iter63_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 0.367980713930E+03 0.36798E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.391771548520E+01 -0.36406E+03 -0.35080E+03 845 0.195E+02
DAV: 3 -0.953900209388E+02 -0.99308E+02 -0.98979E+02 656 0.116E+02
DAV: 4 -0.100102894060E+03 -0.47129E+01 -0.47028E+01 712 0.294E+01
DAV: 5 -0.100194748511E+03 -0.91854E-01 -0.91816E-01 736 0.371E+00 0.222E+01
DAV: 6 -0.915865850843E+02 0.86082E+01 -0.30708E+01 696 0.297E+01 0.116E+01
DAV: 7 -0.907387784034E+02 0.84781E+00 -0.18540E+00 712 0.641E+00 0.483E+00
DAV: 8 -0.903350107326E+02 0.40377E+00 -0.56734E-01 696 0.433E+00 0.166E+00
DAV: 9 -0.902394343033E+02 0.95576E-01 -0.14187E-01 696 0.173E+00 0.440E-01
DAV: 10 -0.902313885258E+02 0.80458E-02 -0.46548E-02 720 0.119E+00 0.333E-01
DAV: 11 -0.902346950338E+02 -0.33065E-02 -0.66960E-03 605 0.528E-01 0.123E-01
DAV: 12 -0.902376700925E+02 -0.29751E-02 -0.57734E-03 631 0.350E-01 0.127E-01
DAV: 13 -0.902416709881E+02 -0.40009E-02 -0.21752E-03 832 0.398E-01 0.910E-02
DAV: 14 -0.902445664104E+02 -0.28954E-02 -0.10667E-03 658 0.157E-01 0.657E-02
DAV: 15 -0.902468353674E+02 -0.22690E-02 -0.59199E-04 680 0.144E-01 0.283E-02
DAV: 16 -0.902487791503E+02 -0.19438E-02 -0.34788E-04 666 0.103E-01 0.262E-02
DAV: 17 -0.902495272221E+02 -0.74807E-03 -0.82169E-05 688 0.494E-02 0.212E-02
DAV: 18 -0.902499248768E+02 -0.39765E-03 -0.86044E-05 648 0.525E-02 0.838E-03
DAV: 19 -0.902500373312E+02 -0.11245E-03 -0.13150E-05 496 0.258E-02 0.510E-03
DAV: 20 -0.902501276595E+02 -0.90328E-04 -0.17559E-05 490 0.230E-02 0.544E-03
DAV: 21 -0.902501769528E+02 -0.49293E-04 -0.55094E-06 464 0.138E-02 0.302E-03
DAV: 22 -0.902501915978E+02 -0.14645E-04 -0.45431E-06 472 0.117E-02 0.211E-03
DAV: 23 -0.902501975262E+02 -0.59284E-05 -0.15002E-06 431 0.653E-03
1 F= -.90250198E+02 E0= -.90259286E+02 d E =0.272643E-01