<html><head><meta http-equiv="Content-Type" content="text/html charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">It would be great to help you, provided:<div class=""><br class=""></div><div class="">i) you give evidence that help is needed on how pw.x works. In the specific case you gave</div><div class="">no information (just “took much time” is nothing), it could be due to software/hardware/installation problems</div><div class=""><br class=""></div><div class="">ii) you provide your affiliation</div><div class=""><br class=""></div><div class="">iii) you DO NOT reply to previous posts, whose subject becomes completely misleading</div><div class=""><br class=""></div><div class="">Giovanni</div><div class=""><br class=""></div><div class=""><br class=""></div><div class=""><br class=""><div><blockquote type="cite" class=""><div class="">On 13 Nov 2014, at 12:35, Mona Asadi <<a href="mailto:sarina7192@yahoo.com" class="">sarina7192@yahoo.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div class=""><div style="background-color: rgb(255, 255, 255); font-family: 'bookman old style', 'new york', times, serif; font-size: 13px;" class=""><div class=""><span class="">Hey guys ,</span></div><div style="font-size: 13px; font-family: 'bookman old style', 'new york', times, serif; background-color: transparent; font-style: normal;" class=""><span class="">Im new to QE , so I hope u can help me with running a programme <br class=""></span></div><div style="font-size: 13px; font-family: 'bookman old style', 'new york', times, serif; background-color: transparent; font-style: normal;" class=""><span class="">I've tried this : pw.x input.in > < output.out ></span></div><div style="font-size: 13px; font-family: 'bookman old style', 'new york', times, serif; background-color: transparent; font-style: normal;" class=""><span class="">But it took much time</span></div><div style="font-size: 13px; font-family: 'bookman old style', 'new york', times, serif; background-color: transparent; font-style: normal;" class=""><span class="">plz help me </span></div> <div class="qtdSeparateBR"><br class=""><br class=""></div><div style="display: block;" class="yahoo_quoted"> <div style="font-family: bookman old style, new york, times, serif; font-size: 13px;" class=""> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif; font-size: 16px;" class=""> <div dir="ltr" class=""> <font face="Arial" size="2" class=""> On Thursday, November 13, 2014 2:39 PM, Davide Ceresoli <<a href="mailto:davide.ceresoli@istm.cnr.it" class="">davide.ceresoli@istm.cnr.it</a>> wrote:<br class=""> </font> </div> <br class=""><br class=""> <div class="y_msg_container">I've sent and uploaded couple of Mn pseudos with GIPAW<br class="">reconstruction. Please test!<br class=""><br class="">Davide<br class=""><br class="">On 11/12/2014 10:50 PM, Paolo Giannozzi wrote:<br class="">> I hadn't noticed that you need GIPAW reconstruction info.<br class="">> If so, you will need to generate one. Unfortunately Mn is<br class="">> a tough guy. Good luck.<br class="">><br class="">> Paolo<br class="">><br class="">> On Wed, 2014-11-12 at 11:00 +0000, roberta pigliapochi
wrote:<br class="">>> Dear Paolo,<br class="">>><br class="">>> Thank you very much for the quick reply and I'm sorry for being<br class="">>> stubborn but to me those two PPs don't seem to have the GIPAW<br class="">>> reconstruction. Am I talking nonsense?<br class="">>><br class="">>> Thank you again.<br class="">>> Roberta<br class="">>><br class="">>><br class="">>> Roberta Pigliapochi<br class="">>> PhD Student | Grey Research Group<br class="">>> University of Cambridge<br class="">>><br class="">>> On 12 November 2014 10:40, Paolo Giannozzi <<a ymailto="mailto:paolo.giannozzi@uniud.it" href="mailto:paolo.giannozzi@uniud.it" class="">paolo.giannozzi@uniud.it</a>><br class="">>> wrote:<br class="">>> There are two norm-conserving PBE PP for Mn in the web site.<br class="">>> Presumably they will require one million (for the FHI one)<br class="">>> or one billion (for the HGH one) Ry
cutoff.<br class="">>><br class="">>> Paolo<br class="">>><br class="">_______________________________________________<br class="">Pw_forum mailing list<br class=""><a ymailto="mailto:Pw_forum@pwscf.org" href="mailto:Pw_forum@pwscf.org" class="">Pw_forum@pwscf.org</a><br class=""><a href="http://pwscf.org/mailman/listinfo/pw_forum" target="_blank" class="">http://pwscf.org/mailman/listinfo/pw_forum</a><br class=""><br class=""><br class=""></div> </div> </div> </div> </div></div>_______________________________________________<br class="">Pw_forum mailing list<br class=""><a href="mailto:Pw_forum@pwscf.org" class="">Pw_forum@pwscf.org</a><br class="">http://pwscf.org/mailman/listinfo/pw_forum</div></blockquote></div><br class=""><div apple-content-edited="true" class="">
-- <br class=""><br class="">Giovanni Cantele, PhD<br class="">CNR-SPIN<br class="">c/o Dipartimento di Fisica<br class="">Universita' di Napoli "Federico II"<br class="">Complesso Universitario M. S. Angelo - Ed. 6<br class="">Via Cintia, I-80126, Napoli, Italy<br class="">e-mail: <a href="mailto:giovanni.cantele@spin.cnr.it" class="">giovanni.cantele@spin.cnr.it</a><br class="">Phone: +39 081 676910<br class="">Skype contact: giocan74<br class=""><br class="">ResearcherID: <a href="http://www.researcherid.com/rid/A-1951-2009" class="">http://www.researcherid.com/rid/A-1951-2009</a><br class="">Web page: <a href="http://people.na.infn.it/~cantele" class="">http://people.na.infn.it/~cantele</a><br class="">
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