<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:arial,helvetica,sans-serif;font-size:12pt"><div><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><div><pre style="font-family: arial,helvetica,sans-serif;">As posted January of 2009:<br><br>>Managed to launch it on Windows machine remotely via CygWin. It starts no prob but can't seem to display/open anything. In particular, I tried opening every <span class="yshortcuts" id="lw_1279745326_0">single file</span> on espresso 4.0.4 output example 8 with calculate DOS (I chose display optimized coordinates), it always gives the same error of<br>><br>>Error: while executing exec sh /share/apps/xcrysden-1.6/ scripts/pwo2xsf.sh --optcoor /share/apps/espresso-4.0.4/ examples/example08/reference/ ni.dos.out > pwo2xsf.xsf<br>><br>>no luck with other coordinate type or any other example
either<br>><br>>Jonas<br></pre><span style="font-family: arial,helvetica,sans-serif;">I
received the same error message that Mr. Jonas Baltrusaitis has
reported. I am using XCrySDen on linux and every one of my recent output files
fro<font size="3">m
a 'relax' calculation reported this same error when I attempted to
"Display Optimized Coordinates" on XCrySDen. Then I noticed in the
output file, there were no CELL_PARAMETERS listed so after manually
putting them in and entering the following into the heading of the <a target="_blank" href="http://pwo2xsf.sh/"><span class="yshortcuts" id="lw_1279745326_1">pwo2xsf.sh</span></a> script:<br><br>LANG=C</font></span><font size="3"><br style="font-family: arial,helvetica,sans-serif;"><span style="font-family: arial,helvetica,sans-serif;">LC_ALL=C</span><br style="font-family: arial,helvetica,sans-serif;"><span style="font-family: arial,helvetica,sans-serif;">export LANG LC_ALL</span><br style="font-family: arial,helvetica,sans-serif;"></font><span style="font-family: arial,helvetica,sans-serif;"><font size="3"><br>the error goes away. However, when I try to select
"reduce dimension to 2D" and "Display Optimized Coordinates"<span style="font-family: arial,helvetica,sans-serif;">, nothing is displayed and in the terminal it says:</span><br style="font-family: arial,helvetica,sans-serif;"></font>
<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>Some
of the older output files display the optimized coordinates correctly
and in the terminal it reads this same thing but with sInfo(dim) = 2.
Is that the only problem keeping my new files from working properly?
How might I go about fixing this?<br><br>Thanks,<br><br>Izaak Williamson<br>
</span><font color="#888888">Research Assistant<br>Physics Department<br><span style="border-bottom: 2px dotted rgb(54, 99, 136); cursor: pointer;" class="yshortcuts" id="lw_1279745326_2">Boise State University</span></font></div>
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