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README.md

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1. Download and copy the shell scripts in the directory(say master-dir) where you have generated the POSCAR-n1n2n3n4n5 or POSCAR_FC2-n1n2n3n4n5 files using the commands

$ phono3py -d --dim="p1 p2 p3" -c POSCAR/POSCAR-unitcell or

$ phono3py -d --dim-fc2="p1 p2 p3" --dim="m1 m2 m3" -c POSCAR/POSCAR-unitcell or

$ phono3py --cutoff-pair=1 -d --dim-fc2="p1 p2 p3" --dim="m1 m2 m3" -c POSCAR/POSCAR-unitcell where POSCAR is the unit cell POSCAR file.

2. Copy the INCAR, KPOINTS and POTCAR files required for the calculation in the same directory (master-dir) which will be copied to each directories generated by executing the shell scripts.

3. Make sure the shell scripts are executable using

$ ls -l

if not, then make them executable using chmod command

$ chmod 777 file.sh

4. If all ok then execute the .sh scripts(s)

$ ./file.sh