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 -------------- next part -------------- An HTML attachment was scrubbed... URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20120727/00f553d8/attachment.htm>
