<html><body><div style="color:#000; background-color:#fff; font-family:bookman old style, new york, times, serif;font-size:13px"><div><span>Hey guys ,</span></div><div style="color: rgb(0, 0, 0); font-size: 13px; font-family: bookman old style,new york,times,serif; background-color: transparent; font-style: normal;"><span>Im new to QE , so I hope u can help me with running a programme <br></span></div><div style="color: rgb(0, 0, 0); font-size: 13px; font-family: bookman old style,new york,times,serif; background-color: transparent; font-style: normal;"><span>I've tried this : pw.x input.in > < output.out ></span></div><div style="color: rgb(0, 0, 0); font-size: 13px; font-family: bookman old style,new york,times,serif; background-color: transparent; font-style: normal;"><span>But it took much time</span></div><div style="color: rgb(0, 0, 0); font-size: 13px; font-family: bookman old style,new york,times,serif; background-color: transparent;
font-style: normal;"><span>plz help me </span></div> <div class="qtdSeparateBR"><br><br></div><div style="display: block;" class="yahoo_quoted"> <div style="font-family: bookman old style, new york, times, serif; font-size: 13px;"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif; font-size: 16px;"> <div dir="ltr"> <font face="Arial" size="2"> On Thursday, November 13, 2014 2:39 PM, Davide Ceresoli <davide.ceresoli@istm.cnr.it> wrote:<br> </font> </div> <br><br> <div class="y_msg_container">I've sent and uploaded couple of Mn pseudos with GIPAW<br>reconstruction. Please test!<br><br>Davide<br><br>On 11/12/2014 10:50 PM, Paolo Giannozzi wrote:<br>> I hadn't noticed that you need GIPAW reconstruction info.<br>> If so, you will need to generate one. Unfortunately Mn is<br>> a tough guy. Good luck.<br>><br>> Paolo<br>><br>> On Wed, 2014-11-12 at 11:00 +0000, roberta pigliapochi
wrote:<br>>> Dear Paolo,<br>>><br>>> Thank you very much for the quick reply and I'm sorry for being<br>>> stubborn but to me those two PPs don't seem to have the GIPAW<br>>> reconstruction. Am I talking nonsense?<br>>><br>>> Thank you again.<br>>> Roberta<br>>><br>>><br>>> Roberta Pigliapochi<br>>> PhD Student | Grey Research Group<br>>> University of Cambridge<br>>><br>>> On 12 November 2014 10:40, Paolo Giannozzi <<a ymailto="mailto:paolo.giannozzi@uniud.it" href="mailto:paolo.giannozzi@uniud.it">paolo.giannozzi@uniud.it</a>><br>>> wrote:<br>>> There are two norm-conserving PBE PP for Mn in the web site.<br>>> Presumably they will require one million (for the FHI one)<br>>> or one billion (for the HGH one) Ry
cutoff.<br>>><br>>> Paolo<br>>><br>_______________________________________________<br>Pw_forum mailing list<br><a ymailto="mailto:Pw_forum@pwscf.org" href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br><a href="http://pwscf.org/mailman/listinfo/pw_forum" target="_blank">http://pwscf.org/mailman/listinfo/pw_forum</a><br><br><br></div> </div> </div> </div> </div></body></html>