thank you for your reply<br><br>
<div class="gmail_quote">2010/8/30 Tone Kokalj <span dir="ltr"><<a href="mailto:tone.kokalj@ijs.si">tone.kokalj@ijs.si</a>></span><br>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">
<div class="im">On Tue, 2010-08-17 at 23:17 +0800, Wei Zhou wrote:<br>><br>> dear users,<br>><br>> I have installed the xcrysen 1.4.1 vesion of cygwin, and I have seen<br>> the readme file, the corresponding sofe have been install. when I see<br>
> the xsf file, or wien2k file ,the xcrysden work correctly, however,<br>> when I seen the expample file of pwscf in crysdens, it dos not work.<br>> the error is as following<br>> Error; while executing<br>> exec sh<br>
> ..../scripts/pwi2xsf.sh<br>> /XCrySDen-1.4.1bin-shared/scripts/pwi2xsf.sh: line 131: pwi2xsf:<br>> command not find<br><br></div>Check if the pwi2xsf program is in your $XCRYSDEN_TOPDIR/bin<br>directory.<br>
<div class="im"><br>> in fact, the pwi2xsf.sh can work correctly, I have used it to<br>> translate pwscf file.<br><br></div>Then this is your workaround: translate the pw.x input file to xsf file<br>and then load the xsf file. It is not that cumbersome as you may use the<br>
pipe like this:<br><br>pwi2xsf.sh pw_inputfile | xcrysden --xsf -<br><br>(note the "-" after the --xsf, it stands for stdin)<br><br>Regards, Tone<br><br>P.S.: do not try this on the EthAl001-2x2.inp example file, as this is<br>
very old pw.x input file, and this trick will not work.<br>
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<div class="h5"><br>--<br>Anton Kokalj<br>J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia<br>(tel: +386-1-477-3523 // fax:+386-1-477-3822)<br><br>Please, if possible, avoid sending me Word or PowerPoint attachments.<br>
See: <a href="http://www.gnu.org/philosophy/no-word-attachments.html" target="_blank">http://www.gnu.org/philosophy/no-word-attachments.html</a><br><br>_______________________________________________<br>XCrySDen mailing list<br>
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</div><br><br clear="all"><br>-- <br>ZhouDawei<br>JiLin Universiyt ,ChangChun ,China<br><a href="mailto:zdw2000@gmail.com">zdw2000@gmail.com</a><br>