<div dir="ltr">Hi<div><br></div><div>The coordinates in the *-<a href="http://pos-1.xyz">pos-1.xyz</a> file are absolute Cartesian coordinates, i.e. they are independent of the cell shape and size.</div><div><br></div><div>SL</div><div><br></div></div><div class="gmail_extra"><br><div class="gmail_quote">On 1 March 2016 at 10:36, celio angel <span dir="ltr"><<a href="mailto:adil.e...@gmail.com" target="_blank">adil.e...@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">Dear all user cp2k,I have a question concerning the file .xyz generate by cp2k in cell opt. is this coordinated are given in the base orthonormé or having the same format that the cell.For example I have a system hexagonal having a=b and C alpha=béta=90 and gamma=120 is the cordonnate in file .xyz file its are in the base hexagonal or the Cartesian base.and thank you</div><span class="HOEnZb"><font color="#888888">
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