Dear experts,
I want to calculate the partial density of states for my structure. For this, Dos=T and ndir =-3 and a file orbcomp (which contains an integer: representing atom number). It only generates a dos_Ek file. No DOS file was generated.
P.S: i am using fleur26 version.


Is there anything i need to do?

I think we only had a tmp_Ek file, which is generated before ek_orco_12 etc. are calculated.
Probably something went wrong in between, please check for output. Maybe it's related to parallelism, please try to use a number of MPI tasks that is commensurate with the number of k-points, i.e. #kpts/#tasks = integer.
If you just need atom-specific s,p,d,f-DOS, you can use ndir=-1.

Thankyou for this explanation.
With DOS=T and ndir=-1, how can I read the coloumns in DOs.1 file.?
As far I can see, first column is for energy(hrt),
second would probably be TDOS for the crystal.
For the rest of the columns I am not sure what is the pattern to follow?
I have 4 atoms, 1=A and 3=B. and I have 23 columns(extracting first two).

Do the file contain Atom A and B TDOS printed as well?

Kindly help me to understand it.

THanks