esta.general.niggli_reduce
¶
niggli_reduce(poscar=None, out_poscar_esta=None, out_poscar_ase=None)
¶
' read poscar file using aadhaar object from esta and save the poscar file.
Further niggli reduce the crystal lattice using niggli_reduce from build (not geometery) in ASE package and save the poscar.
Now you can compare the two poscar files to see about the niggli reduction.