<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">I think that the sum of the weights is correct because it takes into account the spin degeneration.<div class="">If I’m not wrong, what it is happening is that the code first normalises the weights to on and then multiplies them</div><div class="">by two in the case the run you are carrying out is not spin polarised.</div><div class="">If you see PW/src/setup.f90 you can find the line</div><div class=""> ELSE<br class=""> !<br class=""> ! ... LDA case: the two spin polarizations are identical<br class=""> !<br class=""> wk(1:nkstot) = wk(1:nkstot) * degspin<br class=""><br class=""><div><br class=""></div><div><br class=""></div><div>So, did you ad the factor of 2 due to the spin degeneracy in your own script?</div><div><br class=""></div><div>Giovanni</div><div><br class=""><blockquote type="cite" class=""><div class="">On 22 Jul 2019, at 09:41, Михаил Петров <<a href="mailto:petrovichml@list.ru" class="">petrovichml@list.ru</a>> wrote:</div><br class="Apple-interchange-newline"><div class="">
<div class="">Dear users,<br class=""><br class="">I am calculating a 1D system (stripe) and I have a problem calculating its DOS.<br class="">There is exactly 2 times difference between DOS calculated with my own script and the one that I get from the dos.x.<br class="">I have noticed that in my scf/nscf out files the weights of all the k-points involved add up not to 1 but to 2 and maybe that is where the trouble is. <br class="">Is that ok that weights add up not to one?<br class="">I added nscf.out file just in case. <br class=""><br class="">Best regards, Mikhail <br class=""><br class=""><br class=""><br class=""></div>
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<div dir="auto" style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div dir="auto" style="caret-color: rgb(0, 0, 0); color: rgb(0, 0, 0); letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; text-decoration: none; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="text-align: start; text-indent: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><div style="text-align: start; text-indent: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><span style="color: rgb(0, 0, 0); letter-spacing: normal; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;" class="">-- <br class=""><br class="">Giovanni Cantele, PhD</span></div><div style="text-align: start; text-indent: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><span style="color: rgb(0, 0, 0); letter-spacing: normal; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;" class=""><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</span></div><div style="text-align: start; text-indent: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><span style="color: rgb(0, 0, 0); letter-spacing: normal; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;" class=""><br class=""><a href="mailto:giovanni.cantele@spin.cnr.it" class="">e-mail: giovanni.cantele@spin.cnr.it</a></span></div><div style="text-align: start; text-indent: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class=""><span style="color: rgb(0, 0, 0); letter-spacing: normal; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;" class=""> <a href="mailto:gcantele@gmail.com" class="">gcantele@gmail.com</a><br class="">Phone: +39 081 676910<br class="">Skype contact: giocan74<br class="">Web page:<span class="Apple-converted-space"> </span></span><a href="https://sites.google.com/view/giovanni-cantele" class="">https://sites.google.com/view/giovanni-cantele</a></div></div></div></div>
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