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</o:shapelayout></xml><![endif]--></head><body lang=ZH-CN link=blue vlink=purple><div class=WordSection1><p class=MsoNormal><span lang=EN-US style='font-size:10.5pt;font-family:"Calibri","sans-serif";color:#1F497D'>No, you cannot. <o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:10.5pt;font-family:"Calibri","sans-serif";color:#1F497D'>Only NC pseudopotentials works for non-collinear calculations at this stage. <o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:10.5pt;font-family:"Calibri","sans-serif";color:#1F497D'><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:10.5pt;font-family:"Calibri","sans-serif";color:#1F497D'><o:p> </o:p></span></p><p class=MsoNormal style='text-align:justify;text-justify:inter-ideograph'><span lang=EN-US style='font-size:10.5pt;font-family:"Cambria","serif";color:#1F497D'>Huiyuan Geng<o:p></o:p></span></p><p class=MsoNormal style='text-align:justify;text-justify:inter-ideograph'><span lang=EN-US style='font-size:10.5pt;font-family:"Cambria","serif";color:#1F497D'>Assoc. Prof<o:p></o:p></span></p><p class=MsoNormal style='text-align:justify;text-justify:inter-ideograph'><span lang=EN-US style='font-size:10.5pt;font-family:"Cambria","serif";color:#1F497D'>State Key Lab of Advanced Jonning and Welding<o:p></o:p></span></p><p class=MsoNormal style='text-align:justify;text-justify:inter-ideograph'><span lang=EN-US style='font-size:10.5pt;font-family:"Cambria","serif";color:#1F497D'>Harbin Institute of Technology, China<o:p></o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:10.5pt;font-family:"Calibri","sans-serif";color:#1F497D'><o:p> </o:p></span></p><p class=MsoNormal><span lang=EN-US style='font-size:10.5pt;font-family:"Calibri","sans-serif";color:#1F497D'><o:p> </o:p></span></p><div style='border:none;border-top:solid #B5C4DF 1.0pt;padding:3.0pt 0cm 0cm 0cm'><p class=MsoNormal><b><span lang=EN-US style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'>From:</span></b><span lang=EN-US style='font-size:10.0pt;font-family:"Tahoma","sans-serif"'> wannier-bounces@quantum-espresso.org [mailto:wannier-bounces@quantum-espresso.org] <b>On Behalf Of </b>Shu-Ting Pi<br><b>Sent:</b> Tuesday, March 01, 2016 4:19 PM<br><b>To:</b> wannier@quantum-espresso.org<br><b>Subject:</b> [Wannier] PAW / USPP pseudopotential in quantum espresso<o:p></o:p></span></p></div><p class=MsoNormal><span lang=EN-US><o:p> </o:p></span></p><div><div><p class=MsoNormal><span lang=EN-US style='color:black'>Dear all,<o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US style='color:black'><o:p> </o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US style='color:black'>Is it possible to use PAW or USPP pseudopotentials in <o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US style='color:black'>quantum espresso to wannierse a SOC calculation?<o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US style='color:black'>I tested it (w90 v1.2) and it doesn't work well. Any update <o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US style='color:black'>on this issue?<o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US style='color:black'><o:p> </o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US style='color:black'>Thanks, <o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US style='color:black'>Shu-Ting<o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US style='color:black'><o:p> </o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US style='color:black'>----<o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US style='color:black'>Shu-Ting Pi<o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US style='color:black'>Postdoctoral Researcher<o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US style='color:black'>Dept. of Physics, <o:p></o:p></span></p></div><div><p class=MsoNormal><span lang=EN-US style='color:black'>University of California, Irvine. <o:p></o:p></span></p></div></div></div></body></html>