Difference between revisions of "Frac2cart.m"
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Revision as of 19:39, 28 December 2017
Converts fractional crystallographic coordinates to Cartesian coordinates. Syntax:
[XYZ,va,vb,vc]=frac2cart(a,b,c,alpha,beta,gamma,ABC)
Parameters:
a,b,c - three unit cell dimensions
alp,bet,gam - three unit cell angles, degrees
ABC - fractional atomic coordinates as
Nx3 array of numbers
Outputs:
XYZ - Cartesian atomic coordinates as
Nx3 array of numbers
va, vb, vc - primitive lattice vectors
