[Wien] Formula to calculate lattice constant from cubic volume

[Naseem Hassan]

Thank You so much for clearing the things kindly.


On Sat, Nov 30, 2013 at 4:05 PM, Kurt Lejaeghere
<Kurt.Lejaeghere at ugent.be>wrote:

> Dear Naseem
>
> 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.
>
> 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
> http://people.seas.harvard.edu/~jones/ap216/lectures/ls_
> 2/ls2_u7/sse_tut_1/solid1.html 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.
>
> Kind regards
>
> Kurt
>
> Citeren Naseem Hassan <raheskoon at gmail.com>:
>
>  Dear Members
>>
>> I saw a formula to calculate lattice constant from cubic volume but was
>> not
>> able to locate its reference or derivation. The formula is
>>
>> Lattice constant = 0.529116(4×volume)^0.3333
>>
>> I know it might be easiest question to be asked here at this level but
>> unfortunately could not find derivation. How you guys will encourage.
>> Thank you
>>
>
>
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