<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman,new york,times,serif;font-size:12pt"><font size="3"><span style="font-family: times new roman,new york,times,serif;">Hello everyone,</span><br style="font-family: times new roman,new york,times,serif;"></font><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><div style="font-family: times new roman,new york,times,serif;" class="gmail_quote"><font size="3"><br>I use XCrySDen frequently to view my structures built with Quantum ESPRESSO. When I open old relax output files in XCrySDen that were produced with espresso-3.2.3, I can view "latest coordinates" or "all coordinates as animation" with no troubles. When I was using espresso-4.1.3, there must have been a certain line (or lack of a line) in the output files that made them
not work in XCrySDen. Specifically, when I open these outputs in XCrySDen, only the "view initial coordinates" button works. By viewing "optimized coordinates" I get an error that reads:<br><br> ERROR: while executing exec sh ../XCrySDen-1.4.1bin-static/scripts/pwo2xsf.sh --optcoor ../relax.out > pwo2xsf.xsf.<br><br>and when I click on "Error Info" it says:<br><br> Child process exited abnormally<br clear="all"><br>The "view latest coordinates" option produces a blank window and the "view all coordinates as animation" option only shows one slide (the initial structure). I think these errors were caused by a change that was made in the wording of the output files with the update of espresso-4.1.3 because when I compiled espresso-4.2.1, I did not have any of these problems. Now I am using the most recent version, espresso-4.3.1, and I am getting the same errors that I did with 4.1.3.<br><br>What, in the code, is causing these
problems to arise? Should I try updating my version of XCrySDen (from 1.4.1)? Any incite on the matter would be much appreciated.<br><br>Thanks in advance.<br><br></font>
</div><font size="3"><span style="font-family: times new roman,new york,times,serif;">-- </span><br style="font-family: times new roman,new york,times,serif;"></font><font style="font-family: times new roman,new york,times,serif;" size="3">Izaak Williamson</font><font size="3"><br style="font-family: times new roman,new york,times,serif;"><span style="font-family: times new roman,new york,times,serif;">
Research Assistant</span><br style="font-family: times new roman,new york,times,serif;"><span style="font-family: times new roman,new york,times,serif;">Physics Department</span><br style="font-family: times new roman,new york,times,serif;"><span style="font-family: times new roman,new york,times,serif;">Boise State University</span></font><br><br>
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