If I remember correctly: x lapw2 -qtl gives only the diagonal qtls
and thus telnes WITHOUT orientation dependency.
x qtl -telnes gives also cross-terms for orientation dependent ELNES.
PS: Yes, x qtl -tenes overwrites a previous case.qtl file from x lapw2 -qtl
I'm not sure, but maybe you
From looking at the post at
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg20597.html
it looks like the steps are:
run_lapw
x qtl -telnes (or x lapw2 -qtl)
x telnes3
According to section "8.24.3 Practical considerations" in the WIEN2k
19.1/19.2 usersguide on page 201 [
Dear Wien2k users,
I have a question regarding the procedure to calculate EELS core-loss edges
(TELNES3).
In the Wien2k manual, the procedure described is:
run_lapw
x lapw1
x qtl -telnes
x telnes3
However, I've found that some users add 'x lapw2 -qtl' like the procedure
for XSPEC.
run_lapw
x
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