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<div><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; font-size: medium; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; font-size: medium; ">
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Dear Zeina,</div>
<div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">
to follow up on Arash's reply: indeed, you need to do what Arash suggests, as you are probably using Wannier90 v. 1.2, since you are using Wannier90 installed by Quantum Espresso.</div>
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If you still have problems, please check (and in case you don't understand the error, post it too) also the content of the lead.werr file and possibly also the standard output and error files from your scheduler ("wannier.$PBS_JOBID.serial8core" as specified
in your file).</div>
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I would also suggest you to install v. 2.0 instead from <a href="http://www.wannier.org">
www.wannier.org</a> which has many new features, and a few improvements (and, among other things, it now accepts both syntaxes 'wannier90.x lead' and 'wannier90.x lead.win').</div>
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Best,</div>
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Giovanni</div>
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<div>On 3 Nov 2014, at 22:12, Mostofi, Arash wrote:</div>
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Dear Zeina,
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<div>Please try again but without the .win on the end, i.e.,</div>
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<div dir="ltr">/share/apps/espresso/espresso-5.1/bin/wannier90.x lead</div>
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<div>The code assumes that the file extension is .win, so in your earlier attempt it is probably looking for an input file called lead.win.win.</div>
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Best wishes,</div>
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<div>Arash</div>
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<div></div>
<div>Dr Arash Mostofi <a href="http://www.mostofigroup.org/">www.mostofigroup.org</a></div>
<div>Imperial College London</div>
<div>Director, Thomas Young Centre @Imperial</div>
<div>Assistant Director, CDT in Theory & Simulation of Materials</div>
<div>Warden, Wilkinson & Weeks Hall</div>
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<div>On 3 Nov 2014, at 21:06, Zeina Al-Dolami <<a href="mailto:zaldolam@email.uark.edu">zaldolam@email.uark.edu</a>> wrote:</div>
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<div dir="ltr">Dear Giovanni,
<div>Thanks so much for your quick response. I followed what you mentioned, but the file lead.wout was not generated. The job script is shown below. What is the problem? Is it installation issue or something else? Please let me know if you have any idea or
suggestions. Many thanks in advance. Thanks to everyone who is willing to help </div>
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<div><span style="font-family:arial,helvetica,sans-serif;white-space:pre-wrap">Zeina Al-Dolami</span><br>
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<pre style="white-space:pre-wrap"><font face="arial, helvetica, sans-serif">PhD Candidate in MEPH<br></font></pre>
<pre style="white-space:pre-wrap"><font face="arial, helvetica, sans-serif">University of Arkansas<br></font></pre>
<div><font face="arial, helvetica, sans-serif"><span style="white-space:pre-wrap">Fayetteville, AR 72703</span> </font></div>
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<div>#/bin/sh</div>
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<div>#PBS -N serialjob</div>
<div>#PBS -q serial8core</div>
<div>#PBS -j oe</div>
<div>#PBS -m abe</div>
<div>#PBS -M <a href="mailto:zaldolam@uark.edu">zaldolam@uark.edu</a></div>
<div>#PBS -o wannier.$PBS_JOBID.serial8core</div>
<div>#PBS -l nodes=1:ppn=1</div>
<div>#PBS -l walltime=01:00:00</div>
<div>#submitted from</div>
<div>cd $PBS_O_WORKDIR</div>
<div>#run program</div>
<div>/share/apps/espresso/espresso-5.1/bin/wannier90.x lead.win </div>
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