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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).<br>
<br>
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.<br>
<br>
If that was too confusing, feel free to ask me directly and I can
guide you through the process step by step offline.<br>
Flo<br>
<br>
<div class="moz-cite-prefix">Am 13.09.2014 um 11:02 schrieb Florian
Altvater:<br>
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Hi Zahra,<br>
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.<br>
Best,<br>
Flo<br>
<br>
<div class="moz-cite-prefix">Am 13.09.2014 um 09:20 schrieb zahra
vatankhah:<br>
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cite="mid:CABje4wxyFeGabqKnHhTkzUrSF1bZTtMV8HkQ5DgJK4ondw8Gfw@mail.gmail.com"
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<p>Dear All<br>
How can i convert angstrom to crystal coordinate?</p>
<p>Thanks</p>
<br>
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