<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Please redirect the question to the xcrysden forum.<div><br></div><div><div><div><div>Il giorno 16/feb/2011, alle ore 10.38, vicky singh ha scritto:</div><br class="Apple-interchange-newline"><blockquote type="cite">Dear friends<br>I want to visualize the optimized coordinate or latest coordinate of the output file for pw.x with xcrysden but it gives an error. <br><br>For optimized coordinate error is<br>ERROR: While executing exec sh<br>
/home/XCrySDen-1.4.1bin-static/scripts/pwo2xsf.sh -optcoor<br></blockquote><div><br></div><div>Try to update to the latest version</div><div><br></div><div><div>XCrySDen/1.5.17-bin/xcrysden</div><div><br></div></div><br><blockquote type="cite"><br>for latest coordinate the error is <br>Error: ERROR: wrong number of fields (6) in atomic coordinates, should be 4 or 7.<br></blockquote><div><br></div>How do your final coordinates look like in the the PWscf output file? Have you had a look inside?</div><div><br></div><div><br></div><div>GS</div><div><br></div><div><blockquote type="cite"><br>Thanks in advance<br><br>vicky singh <br>
research student Bangalore<br>
_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>http://www.democritos.it/mailman/listinfo/pw_forum<br></blockquote></div><br><div>
<div><span class="Apple-style-span" style="color: rgb(126, 126, 126); font-size: 16px; font-style: italic; "><br class="Apple-interchange-newline">§ Gabriele Sclauzero, EPFL SB ITP CSEA</span></div><div><font class="Apple-style-span" color="#7E7E7E"><i> PH H2 462, Station 3, CH-1015 Lausanne</i></font></div>
</div>
<br></div></div></body></html>