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Hi<BR>
I have noticed the following answer in the archive about EOS in Tetragonal lattices(a=b=/c):<BR>
<BR>
You have to optimize first c/a keeping the volume fixed. The discontinuities of the total energy as a <BR>function of c/a (due to the fact that the number of PWs change as you change c/a) are less critical than the discontinuities in E(V). Once you have E(V), you can fit it to an equation of state, much in the same way you would for a cubic system.<BR>
<BR>
a silly question: should'nt be the same way we do for a hexagonal system?!<BR>
and what if the Tetragonal Lattice be a Body-centered one?<BR>
Thanx for any comment <BR><BR><br /><hr />Explore the seven wonders of the world <a href='http://search.msn.com/results.aspx?q=7+wonders+world&mkt=en-US&form=QBRE' target='_new'>Learn more!</a></body>
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