How to use fitsvsl code?

Alloy Theoretic Automated Toolkit (ATAT)
1

Hi dear all,

Recently, I am trying to use fitsvsl code to calculate the vibrational properties of TiAl system according to ATAT manual, and I have some questions.

The fitsvsl code requires a list of directories containing structures that will be used to calculate force constants ((by default strname.in) files as an input.
I would like to know how to get this files. ATAT manual does not seem to have said that how to get this file. I am trying to execute "fitfc -er=10 -ns=2 -ms=0.02 -dr=0.1", the code output "Unable to open lattice file" or "Unable to open structure name file". But I have the right lat.in file as an input.
How should I do to solve this problem?

Best wishes

North unviersity of china
zhiqin Wen

2

This code determines bond stiffness vs bond length relationship for the purpose of calculating vibrational properties (with the svsl code).The code can operate in two modes: a structure generation mode and a fitting mode . Continue here…

3

Thank you! I have known it to use fitsvsl code.

4

hello~
I also have the same confusion: the strname.in file how to produce.
I use the maps -d & touch ready to create different compositions file named 0 1 2 3 I want to ask how to name the file 0 1 2 3 ? it that str0.in str1.in str2.in str3.in file ?

Can you help me to make sure about this ?

Thank you