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 case.int <http://case.int> manually by running *configure_int_lapw -b ?*

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:

http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13909.html

Sorry sir, actually jcol=7 for d .
Hence can I write for other d as
jcol  descrip
 7    d
 8    d5/2(-5/2)
 9    d3/2(-3/2)
 10  d1/2(-1/2)
 11   d1/2(1/2)
 12  d3/2(3/2)
 13  d5/2(5/2)

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:

http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg07087.html
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