<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">I think I met the same problem some time ago. It comes from the fact that xcrysden checks the string of the PWscf version and, if it thinks that the version is an old one, it calls a different script to read the output file. Now, the problem is with the "a" in 4.3a which makes xcrysden think that's an old version. <div>If this is your problem you can solve it by commenting the calls to</div><div><div> pwoCheckPWSCFVersion $option $input</div><div>in scripts/pwo2xsf.sh</div><div><br></div><div>Have fun with XCrysden! I also think it has very nice features.</div><div><br></div><div>Best regards,</div><div><br></div><div><br></div><div>GS</div><div><br></div><div><div>Il giorno 09/mar/2011, alle ore 19.08, Yuelin Li ha scritto:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div>was able to get xcrysden running - beautiful implementation!<br><br>I do have a problem using it when look at out put with multiple atom positions. It looks like xcryden only sees the first frame not the others. If I force it, e.g., on the latest frame, the display is blank, xterm says.<br><br>PWSCF version of the output: 4.3a<br>TEXT-WIDGET: .a1.f1.t<br>pwOutputPresetWhat: /home/ylli/XCrySDen-1.4.1s/scripts/pwo2xsf.sh --latestcoor /home/ylli/Documents/temp/acetylene.out<br>Executing: sh /home/ylli/XCrySDen-1.4.1s/scripts/pwo2xsf.sh --latestcoor /home/ylli/Documents/temp/acetylene.out > pwo2xsf.xsf<br>Executing: sh /home/ylli/XCrySDen-1.4.1s/scripts/dummy.sh /home/ylli/Documents/temp/acetylene.out<br>Number of Atoms: 0<br>Number of Frames: 0<br>Estimated number of bonds = 0<br>sInfo(dim) = 0; periodic(dim) = 0<br><br><br>Attached is the in file directly from the tutorial pw examples.<br><br>Please help. Thanks.<br><br>Best,<br><br>Yuelin<span><acetylene.in></span>_______________________________________________<br>XCrySDen mailing list<br><a href="mailto:XCrySDen@democritos.it">XCrySDen@democritos.it</a><br>http://www.democritos.it/mailman/listinfo/xcrysden<br></div></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></body></html>