usage: phono3py-init [-h] [--pa PRIMITIVE_AXES [PRIMITIVE_AXES ...]]
                     [--magmom MAGMOMS [MAGMOMS ...]]
                     [--mass MASSES [MASSES ...]] [--nosym]
                     [--tolerance SYMMETRY_TOLERANCE]
                     [--hdf5-compression HDF5_COMPRESSION] [--sp] [-d]
                     [--rd RANDOM_DISPLACEMENTS] [--random-seed RANDOM_SEED]
                     [--loglevel LOG_LEVEL] [-q] [-v] [--abinit] [--crystal]
                     [--lammps] [--qe] [--turbomole] [--vasp] [--wien2k]
                     [-c FILE]
                     [--dim SUPERCELL_DIMENSION [SUPERCELL_DIMENSION ...]]
                     [--dim-fc2 PHONON_SUPERCELL_DIMENSION [PHONON_SUPERCELL_DIMENSION ...]]
                     [--rd-fc2 RANDOM_DISPLACEMENTS_FC2]
                     [--rd-auto-factor RD_NUMBER_ESTIMATION_FACTOR]
                     [--amplitude DISPLACEMENT_DISTANCE] [--pm] [--pm-fc2]
                     [--nodiag] [--cutoff-pair CUTOFF_PAIR_DISTANCE]
                     [--cf3 CREATE_FORCES_FC3 [CREATE_FORCES_FC3 ...]]
                     [--cf3-file FILE]
                     [--cf2 CREATE_FORCES_FC2 [CREATE_FORCES_FC2 ...]]
                     [--cfz FILE] [--cfz-fc2 FILE] [--cfs] [--fs2f2]
                     [filename ...]

phono3py-init: set up supercells, displacements, and FORCES_FC3 / FORCES_FC2 /
FORCE_SETS files.

positional arguments:
  filename              Phono3py configure file

options:
  -h, --help            show this help message and exit
  --abinit              Invoke Abinit mode
  --crystal             Invoke CRYSTAL mode
  --lammps              Invoke Lammps mode
  --qe                  Invoke Quantum espresso (QE) mode
  --turbomole           Invoke TURBOMOLE mode
  --vasp                Invoke Vasp mode
  --wien2k              Invoke Wien2k mode
  --amplitude DISPLACEMENT_DISTANCE
                        Distance of displacements
  -c FILE, --cell FILE  Read unit cell
  --cf2 CREATE_FORCES_FC2 [CREATE_FORCES_FC2 ...], --create-f2 CREATE_FORCES_FC2 [CREATE_FORCES_FC2 ...]
                        Create FORCES_FC2
  --cf3 CREATE_FORCES_FC3 [CREATE_FORCES_FC3 ...], --create-f3 CREATE_FORCES_FC3 [CREATE_FORCES_FC3 ...]
                        Create FORCES_FC3
  --cf3-file FILE, --create-f3-from-file FILE
                        Create FORCES_FC3 from file name list
  --cfs, --create-force-sets
                        Create phonopy FORCE_SETS from FORCES_FC2
  --cfz FILE, --subtract-forces FILE
                        Subtract residual forces from supercell forces
  --cfz-fc2 FILE, --subtract-forces-fc2 FILE
                        Subtract residual forces from supercell forces for fc2
  --cutoff-pair CUTOFF_PAIR_DISTANCE, --cutoff-pair-distance CUTOFF_PAIR_DISTANCE
                        Cutoff distance between pairs of displaced atoms used
                        for supercell creation with displacements and making
                        third-order force constants
  -d, --disp            As first stage, get least displacements
  --dim SUPERCELL_DIMENSION [SUPERCELL_DIMENSION ...]
                        Supercell dimension
  --dim-fc2 PHONON_SUPERCELL_DIMENSION [PHONON_SUPERCELL_DIMENSION ...]
                        Supercell dimension for extra fc2
  --fs2f2, --force-sets-to-forces-fc2
                        Create FORCES_FC2 from FORCE_SETS
  --hdf5-compression HDF5_COMPRESSION
                        hdf5 compression filter (default: gzip)
  --loglevel LOG_LEVEL  Log level
  --magmom MAGMOMS [MAGMOMS ...]
                        Same as MAGMOM tag
  --mass MASSES [MASSES ...]
                        Same as MASS tag
  --nodiag              Set displacements parallel to axes
  --nosym               Symmetry is not imposed.
  --pa PRIMITIVE_AXES [PRIMITIVE_AXES ...], --primitive-axis PRIMITIVE_AXES [PRIMITIVE_AXES ...], --primitive-axes PRIMITIVE_AXES [PRIMITIVE_AXES ...]
                        Same as PRIMITIVE_AXES tags
  --pm                  Set plus minus displacements
  --pm-fc2              Set plus minus displacements for extra fc2
  -q, --quiet           Print out smallest information
  --random-seed RANDOM_SEED
                        Random seed by a 32 bit unsigned integer
  --rd RANDOM_DISPLACEMENTS, --random-displacements RANDOM_DISPLACEMENTS
                        Number of supercells with random displacements or
                        "auto"
  --rd-auto-factor RD_NUMBER_ESTIMATION_FACTOR
                        Factor to estimate number of supercells with random
                        displacements
  --rd-fc2 RANDOM_DISPLACEMENTS_FC2, --random-displacements-fc2 RANDOM_DISPLACEMENTS_FC2
                        Number of phonon supercells with random displacements
                        or "auto"
  --sp, --save-params   Save parameters that can run phono3py in
                        phono3py_params.yaml.
  --tolerance SYMMETRY_TOLERANCE
                        Symmetry tolerance to search
  -v, --verbose         Detailed run-time information is displayed
