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<p class=MsoNormal><font size=2 face=Arial><span lang=EN-US style='font-size:
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<p class=MsoNormal><font size=2 face=Arial><span lang=EN-US style='font-size:
10.0pt;font-family:Arial'> Recently I am focusing on a phase
of Si3N4, I use the 1.6 and 1.5 for RMT of Si and N. When I calculate the DOS,
I find that in interstitial space there are 56 electrons and total valence electrons
in unit cell are 128. The rate of the volume of all muffin tin spheres to the
volume of the unit cell is about 30%. For the FLAPW, is that normal there are
too many electrons in interstitial space? Should I keep the rate below 10%?
What is the matter?<o:p></o:p></span></font></p>
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