<html><head><meta http-equiv="Content-Type" content="text/html charset=us-ascii"><meta http-equiv="Content-Type" content="text/html charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">You can perhaps use the J-ICE online viewer. It can read .cif files and write QE input files. I don't know how much editing you need to do but it is worth a try:<div><br></div><div><a href="http://j-ice.sourceforge.net/ondemand/index.html">http://j-ice.sourceforge.net/ondemand/index.html</a></div><div><br></div><div>Cheers,</div><div>Martin Andersson</div><div>University of Copenhagen</div><div><br></div><div><br><div><div>On 25 okt 2012, at 18:02, Carlo Nervi <<a href="mailto:carlo.nervi@unito.it">carlo.nervi@unito.it</a>> wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite">Another way is to use Moldraw, written by a collegue of mine. It can be <br>downloaded for free from:<br><br><a href="http://www.moldraw.unito.it/">http://www.moldraw.unito.it/</a><br><br>Moldraw can read cif file and convert, for example, in CRYSTAL format.<br>Remember to "Make a cell" before to export. From this format you should <br>be able with a text editor and a minimum of efforts to write a Quantum <br>Espresso compatible input file.<br><br>HTH,<br><span class="Apple-tab-span" style="white-space:pre"> </span>Carlo<br><br>Il 25/10/2012 15.02, Yue-Wen Fang ha scritto:<br><blockquote type="cite">one way is to write a script to convert them!<br>i usually use castep in Materials Studio to convert the CIF files.<br><br>Best!<br><br><br>2012/10/24 Ben Palmer <<a href="mailto:benpalmer1983@gmail.com">benpalmer1983@gmail.com</a><br><<a href="mailto:benpalmer1983@gmail.com">mailto:benpalmer1983@gmail.com</a>>><br><br> Hi,<br><br> I'm new to pwscf and I'm trying to find the relaxed co-ordinates for an<br> Iron crystal. I've been trying to set up the initial crystal from a cif<br> file. Is there a way to convert from cif to the pwscf format?<br><br> Thanks<br><br> Ben<br><br><br> _______________________________________________<br> Pw_forum mailing list<br> <a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a> <<a href="mailto:Pw_forum@pwscf.org">mailto:Pw_forum@pwscf.org</a>><br> <a href="http://pwscf.org/mailman/listinfo/pw_forum">http://pwscf.org/mailman/listinfo/pw_forum</a><br><br><br><br><br>--<br>----<br>Yue-Wen Fang<br>East China Normal Univ, China<br><br><br><br><br>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>http://pwscf.org/mailman/listinfo/pw_forum<br><br></blockquote><br><br>-- <br>------------------------------------------------------------<br>Prof. Carlo Nervi <a href="mailto:carlo.nervi@unito.it">carlo.nervi@unito.it</a> Tel:+39 0116707507/8<br>Fax: +39 0116707855 - Dipartimento di Chimica, via<br>P. Giuria 7, 10125 Torino, Italy. <a href="http://lem.ch.unito.it/">http://lem.ch.unito.it/</a><br>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>http://pwscf.org/mailman/listinfo/pw_forum<br></blockquote></div><br></div></body></html>