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

--
     .  .    "In science a person can be convinced by a good argument.
    / `' \   That is almost impossible in politics or religion"
   /(o)(o)\  (Adapted from Carl Sagan)
  /`. \/ .'\  "Lo mediocre es peor que lo bueno, pero también es peor
 /   '`'`   \ que lo malo, porque la mediocridad no es un grado, es una
 |  \'`'`/  | actitud" -- Jorge Wasenberg, 2015
 |  |'`'`|  | (Mediocre is worse than good, but it is also worse than
  \/`'`'`'\/  bad, because mediocrity is not a grade, it is an attitude)
===(((==)))==================================+=========================
! Dr.Víctor Luaña, in silico chemist & prof. !
! Departamento de Química Física y Analítica !
! Universidad de Oviedo, 33006-Oviedo, Spain !
! e-mail:  <vic...@fluor.quimica.uniovi.es>  !
! phone: +34-985-103491  fax: +34-985-103125 !
+--------------------------------------------+
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