atat

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Interactive interface for preparing and analyzing files for generation of special quasirandom structures (SQS) using ATAT mcsqs

gui sqs cif poscar xyz lmp atat mcsqs special-quasirandom-structures

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

sqs vasp poscar atat mcsqs

A python code to get cubic SQS supercell from "sqscell.out" file generated from "mcsqs" code under ATAT package.

sqs atat

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