<div dir="ltr"><div><div><div><div>Hello Sir,<br></div>I have followed the step by step guide of how to convert pwscf into yambo. But getting this error while running the p2y command in the filename.save directory.<br><br>[netlab4@localhost calc.save]$ ./p2y -S -N<br><br>____ ____ ___ .___ ___. .______ ______<br>\ \ / / / \ | \/ | | _ \ / __ \<br> \ \/ / / ^ \ | \ / | | |_) | | | | |<br> \_ _/ / /_\ \ | |\/| | | _ < | | | |<br> | | / _____ \ | | | | | |_) | | `--" |<br> |__| /__/ \__\ |__| |__| |______/ \______/<br><br> <---> P(W) 2 Y(ambo) Ver. 5.0<br> <---> DBs path set to .<br> <---> Index file set to data-file.xml<br> <---> Header/K-points/Energies...done<br> <---> Cell data...done<br> <---> Atomic data...done<br> <---> Symmetries...[SI no]...[I yes]...[-I no]...[TR yes]<br> <---> XC functional...Perdew, Burke & Ernzerhof(X)+Perdew, Burke & Ernzerhof(C)<br> <---> K-points mesh...done<br> <---> RL vectors...<br><br>[ERROR] STOP signal received while in :<br>[ERROR]Error in qexml_read_planewaves IOTK error ierr: 1<br>[netlab4@localhost calc.save]$ <br><br></div>Kindly help me with this.<br><br></div>Regards,<br></div><div>Himani Mishra<br></div><div>Research Scholar<br></div><div>IIIT Allahabad<br></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Mon, Jul 18, 2016 at 12:07 PM, Daniele Varsano <span dir="ltr"><<a href="mailto:daniele.varsano@gmail.com" target="_blank">daniele.varsano@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><p dir="ltr">Dear Himani<br>
Please have a look to the yambo documentation: <a href="http://www.yambo-code.org" target="_blank">www.yambo-code.org</a> there you can find all the information to set up a calculation with yambo. You can also subscribe to the dedicated yambo forum which is the appropriate place for this kind of questions.<br>
Best,</p>
<p dir="ltr">Daniele<br></p>
<p dir="ltr">Daniele Varsano<br>
Cnr istituite of Nanoscience<br>
Modena, Italy</p>
<div class="gmail_extra"><br><div class="gmail_quote"><div><div class="h5">Il 18/lug/2016 08:28, "Himani Mishra" <<a href="mailto:himani@iiita.ac.in" target="_blank">himani@iiita.ac.in</a>> ha scritto:<br type="attribution"></div></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div><div class="h5"><div dir="ltr"><div><div><div>Dear sir,<br></div>I have simulated a job in PWscf and want to apply QP corrections on it. For this I need to run it in yambo but I am not able to convert the pwscf output into a suitable input for yambo. Can you please tell me how to do it or provide a link which can be guide me?<br><br></div>Thanks in advance.<br><br></div><div>Himani Mishra<br></div><div>Research Scholar<br></div><div>IIIT Allhabad<br></div></div>
<br></div></div>_______________________________________________<br>
Pw_forum mailing list<br>
<a href="mailto:Pw_forum@pwscf.org" target="_blank">Pw_forum@pwscf.org</a><br>
<a href="http://pwscf.org/mailman/listinfo/pw_forum" rel="noreferrer" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><br></blockquote></div></div>
<br>_______________________________________________<br>
Pw_forum mailing list<br>
<a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
<a href="http://pwscf.org/mailman/listinfo/pw_forum" rel="noreferrer" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><br></blockquote></div><br></div>