[Wien] Volume of BP unit cell.

[Víctor Luaña Cabal]

On Mon, Jun 27, 2016 at 11:17:47AM +0200, Luciano Ortenzi wrote:
>
>
> is a*b*c=1002,09359 Bohr^3.
>
> Here is the struct file.
> Best!
>
> Title
> CXY LATTICE,NONEQUIV.ATOMS:  1 64_Cmca
> MODE OF CALC=RELA unit=ang
>   6.264445 19.558673  8.178738 90.000000 90.000000 90.000000
                         &&&

Be careful with the units:

#! /usr/bin/octave -f

format long
cell = [6.264445 19.558673  8.178738];
volume=prod(cell)
volume =  1002.09358630267 # ansgtrom**3 per ¿8 atoms?
volume = prod(cell*0.5291771)
volume =  148.494855591321 # bohr**3 ¿per 8 atoms?

Have a productive week,
                       Víctor Luaña

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