[Wien] 4f core emission spectra error
Francisco Garcia
garcia.ff.000 at gmail.com
Mon Mar 31 22:35:41 CEST 2025
Dear users,
I would like to compute the 4f core emission spectra for U. I set n=4 and
l=3 in case.insx (see below) and got the following error:
'INIT_X' -l= 4 not found in QTL-File!
It is stated in the userguide that: case.m1 (matrix element for the
selection rule L+1) and case.m2 (matrix element for the selection rule L-1)
will be generated. So it appears that L+1=4 will be problematic. How may I
fix this problem?
Thank you.
FG
Title: Atom 1 L3 absorption spectrum
1 (atom)
4 (n core)
3 (l core)
0,0.5,0.5 (split, Int1, Int2)
-2,0.02,15 (EMIN,DE,EMAX in eV)
EMIS (type of spectrum)
1.00 (S)
2.0 (gamma0)
1.50 (W only for EMIS)
AUTO (AUTO or MANually select Energy ranges for broadening)
-6.93
-10.16
-13.9
4F energy levels (in Ry) from case.outputst
4F* -27.675400 -27.675400 3.00 3.00 1.0000 T
4F -26.866033 -26.866033 4.00 4.00 1.0000 T
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