I'm fairly certain that the asterisk's symbol (*) corresponds to the /s/
= -1 column for the orbital quantum number (/j/) in Table 6.6 on page
107 in the WIEN2k 17.1 usersguide [
http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf ].
For example, p* is the 1/2. Without the asterisk, the p is the 3/2 in
the s = +1 column.
From what I have read, the :BAN label block in case.scf or case.scf2*
shows only the bands around EF [
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13238.html
].
On 5/14/2018 4:31 PM, Sergio Castillo Robles wrote:
Hi dear Wien users,
I am running the latest version of wien2k, 17.1
I have a couple of questions about output files generated with wien2k,
I was looking for answers in the UG and other sites but i couldn't
find the answer.
The first question is about the asterisks simbols that appears after
the selection of the separation energy between core and valence states
in lstart, I can see that some orbitals are tagged with an asterisk,
what are the asterisk standing for? Maybe its an obvious answer but i
can't figure it out.
The other question is about the bands showing in the scf2 file, why
does it only shows a fraction of the total bands? (apparently the last
16 bands)
Thanks for your time and patience. Best regards.
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