sqs2vasp

A python3 code to convert bestsqs.out generated by mcsqs (ATAT) to POSCAR file for VASP.

Requirements:

• python3
• numpy(not required in lastest version)

Usage:

Convert the sqsfile (default: bestsqs.out) to POSCAR format (POSCAR.sqs) :

python3 sqs2vasp.py [ name_of_sqsfile ]

We can also add the execute permission for the script with the following command,

chmod +x sqs2vasp.py

then the following command would have worked just as well if python3 is valid.

./sqs2vasp.py [ name_of_sqsfile ]