<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><blockquote style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"><div class="plainMail">Dear Sir,<br>pseudopotential is in another directory. I use path. But this probleum is due missing setting in set_ hubbarad_ l and tabed file present in PW.<br>Any help will be appriciated<br><br>Muhammad Zafar<br>PhD Scholar<br> Department of Physics<br> The Islamia University of Bahawalpur,Pakistan<br><br><br>> Dear Pwscf Users<br>><br>> I want to calculate magnetic properties of ZnTe and ZnSe. But this error<br>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<br>/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<br>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>><br>> but same error occurs.<br>><br>> Last time I have do this perform some calculation but now i forget this<br>change and I do not write it any where. Would any body help me to correct<br>this file.<br>><br>> Muhammad Zafar<br>> PhD Scholar<br>> Department of Physics<br>> The Islamia University of Bahawalpur,Pakistan<br>><br>> _______________________________________________<br>> Pw_forum mailing list<br>> <a ymailto="mailto:Pw_forum@pwscf.org" href="/mc/compose?to=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>-------------- next part
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