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Converts bestsqs.out generated by mcsqs of ATAT package to Quantum-Espresso and VASP format.
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rpadhikari/sqs2QE_VASP
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# sqs2QE_VASP Converts bestsqs.out generated by mcsqs of ATAT package to Quantum-Espresso and VASP format. 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).
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Converts bestsqs.out generated by mcsqs of ATAT package to Quantum-Espresso and VASP format.
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