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<div dir="ltr">Thank you very much for the prompt reply . I have
one more query . How to set the jcol values for the p3/2 and the
rest d values . Can I configure <a moz-do-not-send="true"
href="http://case.int">case.int</a> manually by running <b>configure_int_lapw
-b ?</b></div>
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No, you cannot currently use configure_int_lapw to automatically
create case.int for what you are trying to get with the qtl program
as Prof. Blaha told you before in the post at:<br>
<br>
<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13909.html">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13909.html</a><br>
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<div>Sorry sir, actually jcol=7 for d .
<div>Hence can I write for other d as</div>
<div>jcol descrip</div>
<div> 7<span style="font-size:16px"> d</span></div>
<div style="font-size:16px"> 8 d5/2(-5/2)</div>
<div style="font-size:16px"> 9 d3/2(-3/2)</div>
<div style="font-size:16px"> 10 d1/2(-1/2)</div>
<div style="font-size:16px"> 11 d1/2(1/2)</div>
<div style="font-size:16px"> 12 d3/2(3/2)</div>
<div style="font-size:16px"> 13 d5/2(5/2)</div>
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Maybe or maybe not, I don't know, because you didn't provide the
header in the qtl file. You have to set the jcol according to the
header of the case.qtl file as Prof. Blaha said before in the post
at:<br>
<br>
<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg07087.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg07087.html</a>
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