bash script for jobs

job.sh: Batch run the mcsqs task (in the first level directory).

job-2circulation.sh: Batch run the mcsqs task (in the secondary directory).

cif.sh: Convert the results of job.sh to .cif files (in the first level directory).

cif-2circulation.sh: Convert the results of job.sh to .cif files (in the secondary directory).

content-change.sh: Batch change the content of rndstr1.in file (in the first level directory).

content-change-2circulation.sh: Batch change the content of rndstr1.in file (in the secondary directory).

copy.sh: Batch copy INCAR, KPOINTS and POTCAR files to each task folder (in the first level directory).

copy-2circulation.sh: Batch copy INCAR, KPOINTS and POTCAR files to each task folder (in the secondary directory).

create-folder+files.sh: Batch create folders and generate specified files in each folder. Note that it needs to be used with create-rndstr.sh and create-sqscell.sh.

create-rndstr.sh: Create the rndstr.in file.

create-sqscell.sh: Create the sqscell.out file.