<html><head><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;" class="">see PP/src/write_io_header.f90<div class=""><br class=""></div><div class="">Giovanni</div><div class=""><br class=""><div><blockquote type="cite" class=""><div class="">On 15 Mar 2016, at 09:05, Yue-Wen Fang <<a href="mailto:yuewen.fang@gmail.com" class="">yuewen.fang@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class=""><font color="#434343" face="Arial, sans-serif" class=""><span style="font-size:14px;line-height:24px" class="">Dear users,</span></font><div class=""><font color="#434343" face="Arial, sans-serif" class=""><span style="font-size:14px;line-height:24px" class=""><br class=""></span></font></div><div class=""><font color="#434343" face="Arial, sans-serif" class=""><span style="font-size:14px;line-height:24px" class="">In the example of the workfunction for Al(100), we can get a file "Al100.pot" after executing pp.x a</span></font><span style="color:rgb(67,67,67);font-family:Arial,sans-serif;font-size:14px;line-height:24px" class="">fter runing pp.x</span></div><div class=""><br class=""></div><div class="">The header part in the file is shown below <b class="">(L1, L2... denote the line numbers)</b>:</div><div class=""><br class=""></div><div class=""> L1: 18 18 120 18 18 120 4 1</div><div class=""> L2: 6 5.42350901 0.00000000 6.36396103 0.00000000 0.00000000 0.00000000</div><div class=""> L3: 74.5076722547 4.0000000000 25.0000000000 11</div><div class=""> L4: 1 Al 3.00</div><div class=""> L5: 1 0.000000000 0.000000000 4.242640687 1</div><div class=""> L6: 2 0.500000000 0.500000000 3.535533906 1</div><div class=""> L7: 3 0.000000000 0.000000000 2.828427125 1</div><div class=""> L8: 4 0.500000000 0.500000000 2.121320344 1</div><div class=""><br class=""></div><div class="">Could anyone explain the meaning of this part? I didn't find the code in pwscf which generates the header part.</div><div class=""><br class=""></div><div class="">Actually I can guess some of them like FFT grid and coordinates, but I'm not sure for each number shown above. I appreciate experienced users' giving a hand. Many thanks.</div><div class=""><br class=""></div><div class="">Bests</div><div class="">Fang</div><div class="">-- <br class=""><div class="gmail_signature"><div dir="ltr" class=""><div class=""><div dir="ltr" class="">------------------------------------------------------------------------------------------------------------<div class="">Yue-Wen FANG, PhD candidate<div class=""><div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)" class=""><a href="http://english.ecnu.edu.cn/" target="_blank" class="">East China Normal University </a></div><div style="color:rgb(34,34,34);font-family:arial,sans-serif;font-size:14px;background-color:rgb(255,255,255)" class=""><br class=""></div></div><div class=""><br class=""></div><div class=""><br class=""></div></div></div></div></div></div>
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-- <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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