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<DIV><FONT face=Arial size=2><FONT face="Times New Roman" size=3>Dear
all,<BR>According to neutron diffraction and synchrotron XRD, the investigated
<BR>compound which is in the form of nanoparticles is VOx(OH)y. I used output
<BR>data from structural probes as an input for Wien 2k, assuming RminKmax=3,
<BR>Gmax=25, potential GGA (default), N(k)=1000. I ended with the band
structure which seems to be metallic, <BR>but DC conductivity measurement
gave semiconductor sigma-T dependence with <BR>band gap around 0.69 eV. Where is
the key in calculation, or is it possible <BR>that I have influence of
nanoparticulate nature of my sample? Any help is
<BR>welcome.<BR>Regards,<BR>Igor </FONT><BR></FONT></DIV>
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