[Wien] Unitary transformation for projected density of states

[Leonardo Pisani]

Dear Prof. Peter Blaha,

thank you very much.
In the previuos  e-mail I said the following:


> I want to calculate the DOS in a local (atomic site) reference frame
> that is rotated rispect to one dictated by the point group symmetry.
> This is in principle possible using the density matrix spectral 
>decomposition for the considered atom.

I hope not to have misenterpreted the paragraph 8.2 QTL (calculates special 
partial charges) pag. 95 of the usersguide:
could you have a quick reading of that 20 lines paragraph and tell me if,  
according to it, it is actually possible what I want to do ?
If the answer is yes it is posssible, do I have to use the programs which are 
in the directory $WIEMROOT/SRC_qtl   ?
If I am not wrong,  these programs have to be compiled ex-novo and produce 
executable files that have nothing to do with the executable that one usually 
runs with the command "x lapw2 -qtl" to calculate partial charges for the 
ordinary DOS after scf cycle. Is this right?

I am really grateful to you.
Hopefully I can pay this off.
Looking forward to hearing from you,
Leonardo pisani.