For example, did you set QSPLIT to -1 and L to 1 for p1/2(-1/2),p1/2(1/2) in case.inq as described in the QTL technical report ($WIENROOT/SRC_qtl/QTL-tehnical-report.pdf), which is mentioned in the UG. Though, it might be easier to reference $WIENROOT/SRC_qtl/qtltext.f, where you can see p1/2(-1/2),p1/2(1/2) for txt(l=1,QSPLIT=-1):

txt(1,-1)='p,p1/2(-1/2),p1/2(1/2),p3/2(-3/2),,,p3/2(3/2), relativistic'

On 3/2/2016 11:31 PM, Paresh Chandra Rout wrote:
Hi Sir, I did the calculation using *x qtl -p -so* . In the case.qtlup file it's showing all kind of splitting. But I am unable to configure it in <>. It is only picking for total s,p,d not p1/2,p(-1/2)... etc while running x tetra . I edited the <> file manually as follows
-0.50   0.002   1.500  0.003   #Emin, DE, Emax, Gauss-Broad
  4   N   0.000                 #Number of DOS-cases,G/L/B broadening (Ry)
     0 1 total-DOS
     20 1 tot-O
     20 2 s-O
     20 3 p-O
     20 4 p1/2
     20 5 p-1/2
SUM: 0 2          # NUMBER OF SUMMATIONS, max-nr-of summands
2 5               # this sums dos-cases 2+5 from the input above

Kindly guide me how to set the <> file such that It will pick up all orbital split values ( p1/2,p-1/2,d3/2,d5/2 ..) etc in the x tetra calculation.

On Wed, Mar 2, 2016 at 4:44 PM, Paresh Chandra Rout < <>> wrote:

    Hello Sir, I read the UG and  followed the steps you had suggested
    . But one thing I found in my case.inq file is that
    the QSPLIT value is -2 for all the atom, which is for general dos
    as per UG . Shall I modify it to 0 or -1 as mentioned in UG ? Can
    you little bit explain what it does basically ?

    On Wed, Mar 2, 2016 at 3:08 PM, Peter Blaha
    <>> wrote:

        First of all your sequence is anyway wrong, because you get a
        DOS WITHOUT spin-orbit. You need to add  -so   to the lapw2 steps.

        And secondly, as I said before:

Instead of the x lapw2 -qtl ... steps, you need to use the qtl program (x qtl ....)

        And NO: you cannot use configure_int

        On 03/02/2016 10:31 AM, Paresh Chandra Rout wrote:

            Thank you  for the reply . I ran the following commands
            for the SOC pdos
            x lapw1 -up -p
            x lapw1 -dn -p
            x lapwso -up -p
            x lapw2 -qtl -up -p
            x lapw2 -qtl -dn -p
            x tetra -up -p
            x tetra -dn -p

            But my confusion is how to set the 1/2,3/2,5/2 values for
            orbitals (S,P,D) of different atom.
            Can I run as *configure_int_lapw -b total 1 tot,
            s1/2,s-1/2,p1/2,p-1/2,p3/2,d5/2,d3/2 *... manually . I did
            not find this
            in UG.

            On Wed, Mar 2, 2016 at 2:24 PM, Peter Blaha
            <>>> wrote:

                You have to use the    qtl program for that.

                Please read the UG how to set the input.

                And of course, you have to edit
            <> <> manually
                and set the proper column values.

                On 03/02/2016 08:17 AM, Paresh Chandra Rout wrote:

                    Dear all,
                    I want to calculate PDOS in SOC case . I do not
            know how to set
                    for the
                    various J-bands interactively like we are setting
            for the e-g
                    and t-2g bands
                    by running *configure_int_lapw -b *. I searched in
            UG but did
                    not find
                    there. Can anybody guide me how to set bands for SOC
                    interactively  ?
                    Any help would be highly appreciated.

                    Kind Regards
                    Paresh Chandra Rout
                    Research Scolar
                    Indian Institute of Science education and Research

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