<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">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</td></tr></table>