<html><head><meta http-equiv="Content-Type" content="text/html; charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">Actually, US pseudo potential for Sb is downloadable at the Pseudopotentials page of Quantum-espresso<div class=""><a href="http://www.quantum-espresso.org/pseudopotentials/ps-library/sb" class="">http://www.quantum-espresso.org/pseudopotentials/ps-library/sb</a></div><div class=""><br class=""></div><div class="">The files you find are built using pslibrary:</div><div class=""><a href="https://dalcorso.github.io/pslibrary/" class="">https://dalcorso.github.io/pslibrary/</a></div><div class=""><br class=""><div><br class=""><blockquote type="cite" class=""><div class="">On 16 May 2018, at 09:54, Hanuma Kumar <<a href="mailto:hanumak24@gmail.com" class="">hanumak24@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class="">Dear Quantum Espresso users,<div class=""><br class=""></div><div class="">
<span style="color:rgb(51,51,51);font-family:monospace;font-size:12px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial;float:none;display:inline" class="">I have calculated band structure of </span><span style="color:rgb(51,51,51);font-family:monospace;font-size:12px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial;float:none;display:inline" class="">Sb (Antimony) based intermetallics, and I have calculated band structure of the alloys using NORMCONS Pseudopotentials. The density of states and<span class=""> </span></span><span style="color:rgb(51,51,51);font-family:monospace;font-size:12px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial;float:none;display:inline" class="">band structure is matches with the reported results, but their magnetic<span class=""> </span></span><span style="color:rgb(51,51,51);font-family:monospace;font-size:12px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial;float:none;display:inline" class="">moments are not matching. In order to get good results, I am interested<span class=""> </span></span><span style="color:rgb(51,51,51);font-family:monospace;font-size:12px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial;float:none;display:inline" class="">to do with Ultrasoft pseudopotentials. These type of pseudopotentials is<span class=""> </span></span><span style="color:rgb(51,51,51);font-family:monospace;font-size:12px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial;float:none;display:inline" class="">not available for Sb (Antimonty, Atomic number 51) and I don't know how<span class=""> </span></span><span style="color:rgb(51,51,51);font-family:monospace;font-size:12px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial;float:none;display:inline" class="">to generate pseudopotentials. If possible, can anyone please send me the<span class=""> </span></span><span style="color:rgb(51,51,51);font-family:monospace;font-size:12px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial;float:none;display:inline" class="">USPP files for Sb.</span><br class=""></div><div class=""><span style="color:rgb(51,51,51);font-family:monospace;font-size:12px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial;float:none;display:inline" class=""><br class=""></span></div><div class=""><span style="color:rgb(51,51,51);font-family:monospace;font-size:12px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial;float:none;display:inline" class=""><br class=""></span></div><div class=""><span style="color:rgb(51,51,51);font-family:monospace;font-size:12px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial;float:none;display:inline" class="">Thanks and regards</span></div><div class=""><span style="color:rgb(51,51,51);font-family:monospace;font-size:12px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial;float:none;display:inline" class=""><br class=""></span></div><div class=""><span style="color:rgb(51,51,51);font-family:monospace;font-size:12px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial;float:none;display:inline" class="">Hanuma.</span></div></div>
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<div style="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; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" 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=""><a href="mailto:giovanni.cantele@spin.cnr.it" class="">e-mail: giovanni.cantele@spin.cnr.it</a><br class="">Phone: +39 081 676910<br class="">Skype contact: giocan74<br class=""><br class="">ResearcherID: http://www.researcherid.com/rid/A-1951-2009<br class="">Web page: http://people.fisica.unina.it/~cantele<br class=""></div>
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