Sir,<br>Problem is that it gives the error with mssg that USPPs are not implement. What to do in that case. Earlier to one of the answer Lorenzo Paulatto sir write<br><br><meta http-equiv="Content-Type" content="text/html; charset=utf-8"><meta name="ProgId" content="Word.Document"><meta name="Generator" content="Microsoft Word 12"><meta name="Originator" content="Microsoft Word 12"><link rel="File-List" href="file:///C:%5CUsers%5Cravi%5CAppData%5CLocal%5CTemp%5Cmsohtmlclip1%5C01%5Cclip_filelist.xml"><link rel="themeData" href="file:///C:%5CUsers%5Cravi%5CAppData%5CLocal%5CTemp%5Cmsohtmlclip1%5C01%5Cclip_themedata.thmx"><link rel="colorSchemeMapping" href="file:///C:%5CUsers%5Cravi%5CAppData%5CLocal%5CTemp%5Cmsohtmlclip1%5C01%5Cclip_colorschememapping.xml"><style>
<!--
/* Font Definitions */
@font-face
{font-family:"Cambria Math";
panose-1:2 4 5 3 5 4 6 3 2 4;
mso-font-charset:1;
mso-generic-font-family:roman;
mso-font-format:other;
mso-font-pitch:variable;
mso-font-signature:0 0 0 0 0 0;}
@font-face
{font-family:Calibri;
panose-1:2 15 5 2 2 2 4 3 2 4;
mso-font-charset:0;
mso-generic-font-family:swiss;
mso-font-pitch:variable;
mso-font-signature:-1610611985 1073750139 0 0 159 0;}
/* Style Definitions */
p.MsoNormal, li.MsoNormal, div.MsoNormal
{mso-style-unhide:no;
mso-style-qformat:yes;
mso-style-parent:"";
margin-top:0in;
margin-right:0in;
margin-bottom:10.0pt;
margin-left:0in;
line-height:115%;
mso-pagination:widow-orphan;
font-size:11.0pt;
font-family:"Calibri","sans-serif";
mso-ascii-font-family:Calibri;
mso-ascii-theme-font:minor-latin;
mso-fareast-font-family:Calibri;
mso-fareast-theme-font:minor-latin;
mso-hansi-font-family:Calibri;
mso-hansi-theme-font:minor-latin;
mso-bidi-font-family:"Times New Roman";
mso-bidi-theme-font:minor-bidi;}
.MsoChpDefault
{mso-style-type:export-only;
mso-default-props:yes;
mso-ascii-font-family:Calibri;
mso-ascii-theme-font:minor-latin;
mso-fareast-font-family:Calibri;
mso-fareast-theme-font:minor-latin;
mso-hansi-font-family:Calibri;
mso-hansi-theme-font:minor-latin;
mso-bidi-font-family:"Times New Roman";
mso-bidi-theme-font:minor-bidi;}
.MsoPapDefault
{mso-style-type:export-only;
margin-bottom:10.0pt;
line-height:115%;}
@page Section1
{size:8.5in 11.0in;
margin:1.0in 1.0in 1.0in 1.0in;
mso-header-margin:.5in;
mso-footer-margin:.5in;
mso-paper-source:0;}
div.Section1
{page:Section1;}
-->
</style>
<p class="MsoNormal" style="margin-bottom: 0.0001pt; line-height: normal;"><span style="font-size: 14pt; font-family: "Courier New";">The
error means that the calculation you are trying to do is not implemented for
USPP (ultra-soft pseudo-potential). Either use norm-conserving only, or develop
it for ultrasoft.</span></p><p class="MsoNormal" style="margin-bottom: 0.0001pt; line-height: normal;">I didnt get how to develop it for ultrasoft PPs. <br></p><p class="MsoNormal" style="margin-bottom: 0.0001pt; line-height: normal;">
Thanks</p><p class="MsoNormal" style="margin-bottom: 0.0001pt; line-height: normal;">Dev Sharma,</p><p class="MsoNormal" style="margin-bottom: 0.0001pt; line-height: normal;">Univeristy of Delhi<br><span style="font-size: 14pt; font-family: "Courier New";"></span></p>
<br><br><br><div class="gmail_quote">On Sun, Sep 27, 2009 at 1:35 AM, Duy Le <span dir="ltr"><<a href="mailto:ttduyle@gmail.com">ttduyle@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Hi<div class="im"><br> >Is there any way that we can run epsilon.x if we dont have norm
conserving pseudo-potential. <br></div>I did not do any epsilon.x calculation before, and I don't understand what's wrong with non-norm conserving potential? To calculate dielectric constants, one needs energy and wavefunction of all states. PWscf provides those (Kohn-Sham eigenvalues and eigen wavefunctions), and epsilon.x will do it jobs as a post-processing. It would be nice if you or someone can explain the problem to me. Thank you.<div class="im">
<br>
<br>>I want to run epsilon.x for YVO4 and i
dont know how to use ld1.x to make a pseudo potential. Please help or
advice.<br></div><a href="http://www.quantum-espresso.org/wiki/index.php/QESB09" target="_blank">http://www.quantum-espresso.org/wiki/index.php/QESB09</a>, (Saturday 25) has tutorial and lectrure for generating pseudo potential (video available too). Give it a try if you really need to generate pseudo potental.<br>
<br>Best,<br><br><div class="gmail_quote"><div><div></div><div class="h5">On Sat, Sep 26, 2009 at 3:14 AM, dev sharma <span dir="ltr"><<a href="mailto:decboy9@gmail.com" target="_blank">decboy9@gmail.com</a>></span> wrote:<br>
</div></div><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div><div></div><div class="h5">
Hi 2 all,<br><br> Is there any way that we can run epsilon.x if we dont have norm conserving pseudo-potential. I want to run epsilon.x for YVO4 and i dont know how to use ld1.x to make a pseudo potential. Please help or advice.<br>
<br>Thanks in advance,<br><font color="#888888">Dev Sharma,<br>University of Delhi,<br><br><br><br><br><br><br>
</font><br></div></div>_______________________________________________<br>
Pw_forum mailing list<br>
<a href="mailto:Pw_forum@pwscf.org" target="_blank">Pw_forum@pwscf.org</a><br>
<a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>
<br></blockquote></div><font color="#888888"><br><br clear="all"><br>-- <br>--------------------------------------------------<br>Duy Le<br>PhD Student<br>Department of Physics<br>University of Central Florida.<br>
</font><br>_______________________________________________<br>
Pw_forum mailing list<br>
<a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>
<a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>
<br></blockquote></div><br>