As Professor Lawrence Marks suggested, I searched for exercises from a 
Workshop, so I found the 2019 Workshop where I took the exercises 
(Excercises_19.ppt) and I am still with problems;
Page 4; It shows the electron density of TiN where it can be seen 'rho', 
'Ti-d-band' and 'diference density'
I tried to reproduce it, so I went to the Electron Density of the WIEN2k 
interface, so I edited TiN.inst where I put 'P' in
Ar 2
3, 2,2.0  P ***
3, 2,0.0  P ***
4,-1,1.0  N
4,-1,1.0  N
after that I could not reproduce the figures shown in the Exercises

Second, the Bader analysis, AIM
Page 25 it says;
Calculate this in TiN and TiC (exercise 1 and 2)
cd ~/WIEN2k/TiN # we already have a scf density

  *   x aim

# creates a default TiN.inaim (bond critical points)

  *   x aim

# executes aim with the default input
so I do
" x aim"
where it should create the
"TiN.inaim" file
but it does not create it.
So, I still have the problem of how to create the "case.inaim" and what is the 
meaning of the different parameters in this file.
On the other hand; how to plot the electron density of Ti d-orbitals


De: delamora <>

Thank you, I will


Try looking in the lecture notes on the W2k page. I am sure you will find a 
Based exercise.

Professor Laurence Marks

On Sat, Mar 21, 2020, 20:26 delamora 
<<>> wrote:
Dear WIEN2k community
I want to do bader analysis, but I find the usersguide difficult to use for the 
The usersguide gives two very different inputs, with "CRIT" or "SURF" in the 
first line
Are these the only options? What do they mean?
The first case has 5 lines and the second has 8
These lines are not explaines.

There is supposedly ".../SRC aim/Notes.txt", but I did not find it in last two 
WIEN2k versions, there is only "<>", but it does not 
deal in explaining the use of "aim"

So I need help to find how to run the aim package and how to read the results


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