<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=Windows-1252">
<style type="text/css" style="display:none;"> P {margin-top:0;margin-bottom:0;} </style>
</head>
<body dir="ltr">
<div style="font-family: Calibri, Arial, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
Dear Tone,</div>
<div style="font-family: Calibri, Arial, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<br>
</div>
<div style="font-family: Calibri, Arial, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
Thanks for your reply. Attached you find the QE output-file. Maybe is it due to the usage of the Environ addon? I use QE and Environ with the Cygwin interface for Win10. It is based on the example01 from Environ "h2o_vacuum" and I performed the calculation
with my own system settings. It seems that the run was successful.<br>
</div>
<div style="font-family: Calibri, Arial, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<br>
</div>
<div style="font-family: Calibri, Arial, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
Kind regards</div>
<div style="font-family: Calibri, Arial, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
Markus<br>
</div>
<div id="appendonsend"></div>
<hr style="display:inline-block;width:98%" tabindex="-1">
<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>Von:</b> xcrysden-bounces@democritos.it <xcrysden-bounces@democritos.it> im Auftrag von Tone Kokalj <tone.kokalj@ijs.si><br>
<b>Gesendet:</b> Montag, 1. August 2022 13:16<br>
<b>An:</b> xcrysden@democritos.it <xcrysden@democritos.it><br>
<b>Betreff:</b> Re: [xcrysden] Error: while executing exec sh optcoor</font>
<div> </div>
</div>
<div class="BodyFragment"><font size="2"><span style="font-size:11pt;">
<div class="PlainText">Dear Markus,<br>
<br>
To provide any help or hints on your problem, you will need to provide<br>
more information: at least the pertinent pw.x output file and the<br>
operating system you are using.<br>
<br>
Best regards, Tone<br>
-- <br>
Jožef Stefan Institute, Ljubljana, Slovenia<br>
<br>
On Thu, 2022-07-28 at 14:58 +0000, markus.becker85@outlook.de wrote:<br>
> Hello,<br>
> <br>
> get this error message when trying to open the optimized ccordinates<br>
> of a Quantum Espresso pw output-file:<br>
> <br>
> Error: while executing exec sh .../xcrysden-1.6.2-bin-<br>
> shared/scripts/pwo2xsf.sh --optcoor ....<br>
> <br>
> I am using the newest version 1.6.2 and my QE version is quite new,<br>
> i.e. 7.0. I found in some forum compatibility problems and update<br>
> suggestions, however, I already use the newest version of xcrysden. <br>
> Maybe someone has an idea on this.<br>
> <br>
> Best regards<br>
> Markus<br>
> _______________________________________________<br>
> XCrySDen mailing list<br>
> XCrySDen@democritos.it<br>
> <a href="http://www.democritos.it/mailman/listinfo/xcrysden">http://www.democritos.it/mailman/listinfo/xcrysden</a><br>
<br>
_______________________________________________<br>
XCrySDen mailing list<br>
XCrySDen@democritos.it<br>
<a href="http://www.democritos.it/mailman/listinfo/xcrysden">http://www.democritos.it/mailman/listinfo/xcrysden</a><br>
</div>
</span></font></div>
</body>
</html>