iterations/neb0_image06_iter146_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 0.371838873343E+03 0.37184E+03 -0.14350E+04 640 0.799E+02
DAV: 2 0.373855314454E+01 -0.36810E+03 -0.35621E+03 874 0.193E+02
DAV: 3 -0.959192422715E+02 -0.99658E+02 -0.99316E+02 693 0.116E+02
DAV: 4 -0.100361386315E+03 -0.44421E+01 -0.44298E+01 696 0.277E+01
DAV: 5 -0.100448931538E+03 -0.87545E-01 -0.87503E-01 736 0.347E+00 0.226E+01
DAV: 6 -0.918873796874E+02 0.85616E+01 -0.30486E+01 704 0.303E+01 0.119E+01
DAV: 7 -0.910515462701E+02 0.83583E+00 -0.17141E+00 712 0.631E+00 0.481E+00
DAV: 8 -0.906744475827E+02 0.37710E+00 -0.55523E-01 720 0.417E+00 0.168E+00
DAV: 9 -0.905868876850E+02 0.87560E-01 -0.12865E-01 720 0.162E+00 0.428E-01
DAV: 10 -0.905772000770E+02 0.96876E-02 -0.33239E-02 720 0.903E-01 0.279E-01
DAV: 11 -0.905811530673E+02 -0.39530E-02 -0.87590E-03 602 0.486E-01 0.143E-01
DAV: 12 -0.905835743441E+02 -0.24213E-02 -0.16929E-03 658 0.251E-01 0.837E-02
DAV: 13 -0.905876986259E+02 -0.41243E-02 -0.17745E-03 609 0.202E-01 0.650E-02
DAV: 14 -0.905907702930E+02 -0.30717E-02 -0.96747E-04 824 0.233E-01 0.385E-02
DAV: 15 -0.905926634338E+02 -0.18931E-02 -0.31007E-04 632 0.964E-02 0.392E-02
DAV: 16 -0.905939607508E+02 -0.12973E-02 -0.35465E-04 736 0.115E-01 0.209E-02
DAV: 17 -0.905948807800E+02 -0.92003E-03 -0.16038E-04 637 0.689E-02 0.152E-02
DAV: 18 -0.905951057303E+02 -0.22495E-03 -0.21774E-05 576 0.247E-02 0.922E-03
DAV: 19 -0.905952831297E+02 -0.17740E-03 -0.32997E-05 617 0.274E-02 0.371E-03
DAV: 20 -0.905953050708E+02 -0.21941E-04 -0.27216E-06 536 0.106E-02 0.190E-03
DAV: 21 -0.905953395433E+02 -0.34473E-04 -0.53556E-06 395 0.101E-02 0.208E-03
DAV: 22 -0.905953447125E+02 -0.51692E-05 -0.86637E-07 469 0.490E-03
1 F= -.90595345E+02 E0= -.90599266E+02 d E =0.117628E-01