[Wien] How to print QTLs for f subshell

Jonathan Solomon jonsolom at gmail.com
Sat Jul 28 02:50:59 CEST 2012


To WIEN2k users and developers:

I would like to print QTLs for all seven orbitals contained in the f
subshell. I set ISPLIT=15 in the case.struct file but when I run init_lapw
it reverts to ISPLIT=8 and thus only prints up to the d orbitals. It does
not work if I manually change it back to 15 before running the calculation.

Thank you,

Jonathan Solomon
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