<html><body><div style="color:#000; background-color:#fff; font-family:bookman old style, new york, times, serif;font-size:14pt"><div><span>Hi.</span></div><div style="color: rgb(0, 0, 0); font-size: 19px; font-family: 'bookman old style', 'new york', times, serif; background-color: transparent; font-style: normal;">you can open your input & output from Quantum ESPRESSO by these command in terminal:</div><div style="color: rgb(0, 0, 0); font-size: 19px; font-family: 'bookman old style', 'new york', times, serif; background-color: transparent; font-style: normal;">Xcrysden --pwi "input-data-file"</div><div style="color: rgb(0, 0, 0); font-size: 19px; font-family: 'bookman old style', 'new york', times, serif; background-color: transparent; font-style: normal;">Xcrysden --pwo "output-data-file"</div><div class="yahoo_quoted" style="display: block;"> <br> <br> <div style="font-family: 'bookman old style', 'new york', times, serif; font-size: 14pt;">
<div style="font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif; font-size: 12pt;"> <div dir="ltr"> <font size="2" face="Arial"> On Tuesday, February 11, 2014 10:35 PM, "xcrysden-request@democritos.it" <xcrysden-request@democritos.it> wrote:<br> </font> </div> <div class="y_msg_container">Send XCrySDen mailing list submissions to<br> <a ymailto="mailto:xcrysden@democritos.it" href="mailto:xcrysden@democritos.it">xcrysden@democritos.it</a><br><br>To subscribe or unsubscribe via the World Wide Web, visit<br> <a href="http://www.democritos.it/mailman/listinfo/xcrysden" target="_blank">http://www.democritos.it/mailman/listinfo/xcrysden</a><br>or, via email, send a message with subject or body 'help' to<br> <a ymailto="mailto:xcrysden-request@democritos.it" href="mailto:xcrysden-request@democritos.it">xcrysden-request@democritos.it</a><br><br>You can reach
the person managing the list at<br> <a ymailto="mailto:xcrysden-owner@democritos.it" href="mailto:xcrysden-owner@democritos.it">xcrysden-owner@democritos.it</a><br><br>When replying, please edit your Subject line so it is more specific<br>than "Re: Contents of XCrySDen digest..."<br><br><br>Today's Topics:<br><br> 1. Error visualizing MD output (Vikas Negi)<br> 2. Re: Error visualizing MD output (Tone Kokalj)<br><br><br>----------------------------------------------------------------------<br><br>Message: 1<br>Date: Tue, 11 Feb 2014 14:14:49 +0530<br>From: Vikas Negi <<a ymailto="mailto:vnegi@students.iiserpune.ac.in" href="mailto:vnegi@students.iiserpune.ac.in">vnegi@students.iiserpune.ac.in</a>><br>Subject: [xcrysden] Error visualizing MD output<br>To: <a ymailto="mailto:xcrysden@democritos.it" href="mailto:xcrysden@democritos.it">xcrysden@democritos.it</a><br>Message-ID:<br> <CA+<a
ymailto="mailto:RFA-sp0uin-9WJiHeFuSzeGYVkNKF0cdFSp8D_6eJA-vZikg@mail.gmail.com" href="mailto:RFA-sp0uin-9WJiHeFuSzeGYVkNKF0cdFSp8D_6eJA-vZikg@mail.gmail.com">RFA-sp0uin-9WJiHeFuSzeGYVkNKF0cdFSp8D_6eJA-vZikg@mail.gmail.com</a>><br>Content-Type: text/plain; charset="iso-8859-1"<br><br>Hi all,<br><br>I am trying to open a pwscf output file (from a md run) in Xcrysden-1.5.24.<br>I keep getting the following error message:<br><br>pwo2xsf.sh: 306: bc: not found<br><br>What does it mean and how can I resolve this problem? Kindly help!<br><br><br>Regards,<br>Vikas Negi<br>Shell Technology Centre<br>Bangalore, India<br>-------------- next part --------------<br>An HTML attachment was scrubbed...<br>URL: <a href="http://www.democritos.it/pipermail/xcrysden/attachments/20140211/7305d034/attachment.html" target="_blank">http://www.democritos.it/pipermail/xcrysden/attachments/20140211/7305d034/attachment.html
</a><br><br>------------------------------<br><br>Message: 2<br>Date: Tue, 11 Feb 2014 09:52:33 +0100<br>From: Tone Kokalj <<a ymailto="mailto:tone.kokalj@ijs.si" href="mailto:tone.kokalj@ijs.si">tone.kokalj@ijs.si</a>><br>Subject: Re: [xcrysden] Error visualizing MD output<br>To: <a ymailto="mailto:xcrysden@democritos.it" href="mailto:xcrysden@democritos.it">xcrysden@democritos.it</a><br>Message-ID: <<a ymailto="mailto:1392108753.4377.1.camel@catalyst.ijs.si" href="mailto:1392108753.4377.1.camel@catalyst.ijs.si">1392108753.4377.1.camel@catalyst.ijs.si</a>><br>Content-Type: text/plain; charset="UTF-8"<br><br>On Tue, 2014-02-11 at 14:14 +0530, Vikas Negi wrote:<br>> Hi all,<br>> <br>> <br>> I am trying to open a pwscf output file (from a md run) in<br>> Xcrysden-1.5.24. I keep getting the following error message:<br>> <br>> <br>> pwo2xsf.sh: 306: bc: not found<br><br>You do not have the "bc" calculator installed on
your computer<br>(pwo2xsf.sh script uses it). Depending on your linux distro, you may<br>install it as<br><br>apt-get install bc <br>(for Debian based systems)<br><br>or<br><br>yum install bc <br>(for Fedora based systems)<br><br>Regards,<br><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><br>------------------------------<br><br>_______________________________________________<br>XCrySDen mailing list<br><a ymailto="mailto:XCrySDen@democritos.it" href="mailto:XCrySDen@democritos.it">XCrySDen@democritos.it</a><br><a href="http://www.democritos.it/mailman/listinfo/xcrysden"
target="_blank">http://www.democritos.it/mailman/listinfo/xcrysden</a><br><br><br>End of XCrySDen Digest, Vol 73, Issue 3<br>***************************************<br><br><br></div> </div> </div> </div> </div></body></html>