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<DIV>I am not sure I understand your question clearly. In relax calculation,
lattice is not changed and positions of atoms also change unless you explicitly
make them fixed.</DIV>
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<DIV>Yun-Peng</DIV>
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<DIV style="font-color: black"><B>From:</B> <A title=payam.norouzzadeh@gmail.com
href="mailto:payam.norouzzadeh@gmail.com">Payam Norouzzadeh</A> </DIV>
<DIV><B>Sent:</B> Thursday, January 12, 2012 11:48 PM</DIV>
<DIV><B>To:</B> <A title=pw_forum@pwscf.org
href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</A> </DIV>
<DIV><B>Subject:</B> [Pw_forum] atom positions in terms of
alat</DIV></DIV></DIV>
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<DIV dir=ltr>Dear Q.E users<BR>I have a simple question: atom coordinates in
terms of alat and after relaxation should be the same for different
lattice constants.<BR>Regardless of the lattice constant the atom position for
atom number 1 in a system should not change.<BR>For example, for lattice
constants 10 or 12 angstroms it should be 0. 0.5 <A
href="http://0.25.It">0.25.It</A> must be scaled.Is that correct?<BR>Best
regards,Nima Pirouzmand<BR></DIV>
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