sqs2QE_VASP

this bash script converts bestsqs.out generated by mcsqs of ATAT package

file to POSCAR, vasp format and pwscf.in Quantum-Espresso format.

This script requires BLAS and LAPACK libraries.

Written by Rajendra Adhikari, Kathmandu Univeristy, Dhulikhel Kavre Nepal

email: rajendra.adhikari@ku.edu.np

Date: 01/21/2016

I always welcome your feedback and suggestions about this script

This script may NOT work out of the box

Please change the relevent variables first before use.

It is the responsibility of researcher to check the code before using it for

production purpose(s).