<div style="line-height:1.7;color:#000000;font-size:14px;font-family:arial">Dear Yingchun:<br>Few days ago, Prof. Marzari provided the compiled "pslib" in this maillist. Any one can download them at: <a href="http://theossrv1.epfl.ch/index.php?n=Main.Links" target="_blank">http://theossrv1.epfl.ch/index.php?n=Main.Links</a><br>For example, in rel-pbe, you can find W.rel-pbe-spn-rrkjus.UPF, the basic information of this file is:<br><i style="color: rgb(0, 255, 255);"><span style="color: rgb(0, 255, 255);">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; author="ADC"</span><br><span style="color: rgb(0, 255, 255);">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; date="15Jun2012"</span><br><span style="color: rgb(0, 255, 255);">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; comment=""</span><br><span style="color: rgb(0, 255, 255);">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; element=" W"</span><br><span style="color: rgb(0, 255, 255);">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; pseudo_type="USPP"</span><br><span style="color: rgb(0, 255, 255);">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; relativistic="full"</span><br><span style="color: rgb(0, 255, 255);">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; is_ultrasoft="T"</span><br><span style="color: rgb(0, 255, 255);">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; is_paw="F"</span><br><span style="color: rgb(0, 255, 255);">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; is_coulomb="F"</span><br><span style="color: rgb(0, 255, 255);">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; has_so="T"</span><br><span style="color: rgb(0, 255, 255);">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; has_wfc="F"</span><br><span style="color: rgb(0, 255, 255);">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; has_gipaw="F"</span><br><span style="color: rgb(0, 255, 255);">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; paw_as_gipaw="F"</span><br><span style="color: rgb(0, 255, 255);">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; core_correction="T"</span><br><span style="color: rgb(0, 255, 255);">&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; functional="PBE"</span></i><br><br><div>--<br>GAO Zhe<br>CMC Lab, Materials Science &amp; Engineering Department,<br>Seoul National University, South Korea<br>        
&nbsp;</div><div id="divNeteaseMailCard"></div><br><pre><br>At&nbsp;2012-09-07&nbsp;17:00:32,"³ÌÓ­´º"&nbsp;&lt;yccheng.nju@gmail.com&gt;&nbsp;wrote:
&gt;Dear&nbsp;All,
&gt;I&nbsp;need&nbsp;W&nbsp;full&nbsp;relativistic&nbsp;pseudopotential&nbsp;to&nbsp;check&nbsp;the&nbsp;spin-orbital
&gt;effect&nbsp;on&nbsp;band&nbsp;structure.
&gt;However,&nbsp;I&nbsp;found&nbsp;that&nbsp;there&nbsp;is&nbsp;no&nbsp;such&nbsp;pseudopotential&nbsp;in&nbsp;QE
&gt;pseudolist&nbsp;and&nbsp;pslibrary0.2.5.
&gt;Would&nbsp;you&nbsp;please&nbsp;kindly&nbsp;help&nbsp;me&nbsp;to&nbsp;solve&nbsp;this&nbsp;problem?
&gt;Thank&nbsp;you&nbsp;in&nbsp;advance.
&gt;Best,
&gt;--&nbsp;
&gt;Y.&nbsp;C.&nbsp;Cheng
&gt;Department&nbsp;of&nbsp;Physics
&gt;Nanjing&nbsp;University
&gt;Nanjing&nbsp;210093
&gt;P.&nbsp;R.&nbsp;China
&gt;Tel:&nbsp;86-25-83592907
&gt;Email:&nbsp;yccheng.nju@gmail.com
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&gt;Pw_forum&nbsp;mailing&nbsp;list
&gt;Pw_forum@pwscf.org
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