I just realized that my answer a) converts from crystal to angstrom and b) only applies to cubic unit cells (what I usually work with).
To convert from cartesian coordinates in angstrom to crystal coordinates you need to know your crystal lattice vectors in cartesian coordinates in angstrom. Generate a 3x3 matrix with the column vectors equal to your crystal lattice vectors. Then multiply your cartesian coordinate vectors from the right with the inverse of that matrix to obtain the coordinate vectors in crystal coordinate units. If that was too confusing, feel free to ask me directly and I can guide you through the process step by step offline. Flo Am 13.09.2014 um 11:02 schrieb Florian Altvater: > Hi Zahra, > to convert you need the lattice parameter (alat). Multiply the crystal > coordinates with alat, and then convert from whatever the units of > alat are to angstrom. > Best, > Flo > > Am 13.09.2014 um 09:20 schrieb zahra vatankhah: >> >> Dear All >> How can i convert angstrom to crystal coordinate? >> >> Thanks >> >> >> >> _______________________________________________ >> Pw_forum mailing list >> Pw_forum at pwscf.org >> http://pwscf.org/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140913/00857fed/attachment.html
