A c++ code to convert
bestsqs.out generated by mcsqs (ATAT) to
POSCAR for VASP.
c++ ./sqs2poscar.cpp -o ./sqs2poscar
xxx in the second line of output POSCAR file to your lattice constant.
bestsqs.out can be any file at present working directory.
After the code was released, c++ compiler on Linux seems to have added some changes to the default libraries. If you find the following errors:
sqs2poscar.cpp:218: error: ‘exit’ was not declared in this scope sqs2poscar.cpp:222: error: ‘strcat’ was not declared in this scope sqs2poscar.cpp:225: error: ‘exit’ was not declared in this scope sqs2poscar.cpp:251: error: ‘exit’ was not declared in this scope
you can solve these errors by adding these two lines into the head of the
#include <cstring> #include <stdlib.h>