frac2cart.m

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

See also

xyz2sph.m, c2spinach.m, gparse.m, oparse.m, anas2mat.m, ang2cgsppm.m, axrh2mat.m, castep2nqi.m, cgsppm2ang.m, conmat.m, dictum.m, dihedral.m, eeqq2nqi.m, g2freq.m, gauss2mhz.m, ham2nqi.m, hartree2joule.m, hz2icm.m, hz2ppm.m, ias2mat.m, mat2axrh.m, mat2ias.m, mhz2gauss.m, mt2hz.m, offsetof.m, ppm2hz.m, spsk2mat.m, tsm2param.m, xyz2dd.m, zfs2mat.m, Kernel_utilities

Version 2.4, authors: Ilya Kuprov