[Wien] Some questions about output files

[Gavin Abo]

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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