This is a well-known situation. <div>If </div><div> you have modified
<span>set_hubbard_l.f90 and tabd.f90</span> to add new elements </div><div>and if </div><div> you have checked carefully pseudopotential files </div><div>but it still gives you the same error, </div><div><br></div>
<div>you should check if you have recompiled the code yet. (hope that you did)</div><div><br clear="all">----------------------------------------------------<br>Duy Le<br>Postdoctoral Associate<br>Department of Physics<br>
University of Central Florida.<br>Website: <a href="http://www.physics.ucf.edu/~dle" target="_blank">http://www.physics.ucf.edu/~dle</a><br>
<br><br><div class="gmail_quote">On Fri, Jun 29, 2012 at 9:45 AM, shayan hemmatiyan <span dir="ltr"><<a href="mailto:shayan.hematiyan@gmail.com" target="_blank">shayan.hematiyan@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<p>Howdy,</p>
<p>Did you copy pseudopotential for all of your elements into pseudo path or write them into your input?</p>
<p>Best,<br>
Shayan</p><div><div><br>
On Jun 29, 2012 8:38 AM, "zafar rasheed" <<a href="mailto:zafartariq2003@yahoo.com" target="_blank">zafartariq2003@yahoo.com</a>> wrote:<br>
><br>
> Dear Pwscf Users<br>
><br>
> I want to calculate magnetic properties of ZnTe and ZnSe. But this error occurs.<br>
><br>
> ++++++++++++++++++++++++++++++++++++++++++++<br>
> from set_hubbard_l : error # 1<br>
> pseudopotential not yet inserted<br>
> +++++++++++++++++++++++++++++++++++++<br>
><br>
> error occur. I know that I have to do some changing in /PW/set_hubbard_l.f90 and tabed.f90<br>
> by putting <br>
><br>
> ===========================================<br>
> ! ... other elements<br>
> !<br>
> CASE( 'H' )<br>
> !<br>
> hubbard_l = 0<br>
> !<br>
> CASE( 'C', 'N', 'O', 'S', 'Se', 'Te' )===== here i think that I m doing some thing wrong but what?<br>
> !<br>
> hubbard_l = 1<br>
> !<br>
> CASE DEFAULT<br>
> !<br>
> hubbard_l = -1<br>
> !<br>
> <br>
> WRITE( stdout, '(/,"psd = ",A,/)' ) psd<br>
> !<br>
> =============================================================================<br>
><br>
> but same error occurs.<br>
><br>
> Last time I have do this perform some calculation but now i forget this change and I do not write it any where. Would any body help me to correct this file.<br>
><br>
> Muhammad Zafar<br>
> PhD Scholar<br>
> Department of Physics<br>
> The Islamia University of Bahawalpur,Pakistan<br>
><br></div></div>
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><br>
<p></p>
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<br></blockquote></div><br></div>