iterations/neb0_image03_iter185_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 0.364312865536E+03 0.36431E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.115871812962E+00 -0.36420E+03 -0.35408E+03 858 0.195E+02
DAV: 3 -0.960759101297E+02 -0.96192E+02 -0.95881E+02 669 0.115E+02
DAV: 4 -0.100266646360E+03 -0.41907E+01 -0.41792E+01 720 0.274E+01
DAV: 5 -0.100349005270E+03 -0.82359E-01 -0.82322E-01 736 0.345E+00 0.222E+01
DAV: 6 -0.917246687003E+02 0.86243E+01 -0.30910E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908795515975E+02 0.84512E+00 -0.18134E+00 704 0.638E+00 0.483E+00
DAV: 8 -0.904844851973E+02 0.39507E+00 -0.54297E-01 704 0.420E+00 0.170E+00
DAV: 9 -0.903874348174E+02 0.97050E-01 -0.13078E-01 712 0.203E+00 0.447E-01
DAV: 10 -0.903800597581E+02 0.73751E-02 -0.42509E-02 712 0.113E+00 0.343E-01
DAV: 11 -0.903838064126E+02 -0.37467E-02 -0.13585E-02 608 0.776E-01 0.167E-01
DAV: 12 -0.903853804720E+02 -0.15741E-02 -0.55978E-03 712 0.498E-01 0.121E-01
DAV: 13 -0.903899844513E+02 -0.46040E-02 -0.40410E-03 623 0.382E-01 0.922E-02
DAV: 14 -0.903928641541E+02 -0.28797E-02 -0.72201E-04 677 0.164E-01 0.499E-02
DAV: 15 -0.903956958349E+02 -0.28317E-02 -0.70699E-04 650 0.131E-01 0.243E-02
DAV: 16 -0.903973103641E+02 -0.16145E-02 -0.13615E-04 680 0.635E-02 0.173E-02
DAV: 17 -0.903983847057E+02 -0.10743E-02 -0.16702E-04 650 0.748E-02 0.145E-02
DAV: 18 -0.903988537222E+02 -0.46902E-03 -0.63182E-05 680 0.421E-02 0.102E-02
DAV: 19 -0.903989213675E+02 -0.67645E-04 -0.10447E-05 520 0.223E-02 0.526E-03
DAV: 20 -0.903990512943E+02 -0.12993E-03 -0.28553E-05 484 0.270E-02 0.569E-03
DAV: 21 -0.903990775379E+02 -0.26244E-04 -0.39059E-06 504 0.121E-02 0.486E-03
DAV: 22 -0.903990879808E+02 -0.10443E-04 -0.41917E-06 456 0.125E-02 0.236E-03
DAV: 23 -0.903990982909E+02 -0.10310E-04 -0.25472E-06 456 0.102E-02 0.118E-03
DAV: 24 -0.903991009517E+02 -0.26609E-05 -0.10644E-06 512 0.575E-03
1 F= -.90399101E+02 E0= -.90407111E+02 d E =0.240295E-01