<div dir="ltr">Thank You so much for clearing the things kindly.<br></div><div class="gmail_extra"><br><br><div class="gmail_quote">On Sat, Nov 30, 2013 at 4:05 PM, Kurt Lejaeghere <span dir="ltr"><<a href="mailto:Kurt.Lejaeghere@ugent.be" target="_blank">Kurt.Lejaeghere@ugent.be</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Dear Naseem<br>
<br>
this formula is only valid for fcc lattices when the volume is expressed in bohr^3 and when you want the lattice constant in angstrom.<br>
<br>
In that case, there are 4 atoms in the conventional unit cell, so the conventional unit cell has a volume of 4 times that of the primitive 1-atom unit cell (which is used in WIEN2k) (see for example <a href="http://people.seas.harvard.edu/~jones/ap216/lectures/ls_2/ls2_u7/sse_tut_1/solid1.html" target="_blank">http://people.seas.harvard.<u></u>edu/~jones/ap216/lectures/ls_<u></u>2/ls2_u7/sse_tut_1/solid1.html</a> fig. 1.2.2, with the red cell conventional and the white one primitive). The fcc lattice vector is the third power root of the volume of the conventional unit cell (because this cell is cubic, and for a cube V = a^3). The factor 0.529177 then serves to scale the dimensions from bohr to angstrom.<br>
<br>
Kind regards<br>
<br>
Kurt<br>
<br>
Citeren Naseem Hassan <<a href="mailto:raheskoon@gmail.com" target="_blank">raheskoon@gmail.com</a>>:<br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Dear Members<br>
<br>
I saw a formula to calculate lattice constant from cubic volume but was not<br>
able to locate its reference or derivation. The formula is<br>
<br>
Lattice constant = 0.529116(4×volume)^0.3333<br>
<br>
I know it might be easiest question to be asked here at this level but<br>
unfortunately could not find derivation. How you guys will encourage.<br>
Thank you<br>
</blockquote>
<br>
<br>
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</blockquote></div><br></div>