Problem with "svsl" program

Alloy Theoretic Automated Toolkit (ATAT)
1

Hello all,

Actually, I am working with ATAT in order to gain the vibration free energy. I have ran the "svsl" program like below:

svsl -df=inputfile

But, just two output files have been produced which are named "eigenvect.out" and "eigenfreq.out" . The problem is that the files named "fvib", "svsl.out", "vdos.out" and "svsl.log" are not produced. Based on the manual, I have the following files for running the "svsl" program:

"slspring.out" which has been gained from Phonon Dispersion that includes the symmetry paths related to the input file curves and also these below files:

"str_relax.out", "str.out" and "fitsvsl"

I was wondering how I should get the vibration free energy. Could you please guide me through this process and tell me what the problem is?

Thanks,
Regards,
Sina

2

Did you run fitsvsl first?
Maybe run svsl -h
and fitsvsl -h
first for some help.

3

Hi Sina,

I saw your post and I have a question from this. When you are using svsl -df=inputfile, how are you defining your inputfile?

Regards
Anus Manzoor

4

From svsl -h :