phonopy/cui/phonopy_argparse.py

88         help="Use ALM for generating force constants")
91         help="Distance of displacements")
94         help="Same as ANIME tag")
97         help="Same behavior as BAND tag")
101         help="Treat band crossings")
105         help="Band paths are sampled with similar interval.")
108         help="Show labels at band segments")
111         help="Band structure output file-format")
114         help=("Number of points calculated on a band segment in "
118         help=("Band indices to be included to calcualte thermal "
123             help="Read unit cell")
127             help="Phonopy configuration file")
131         help=("Thermal properties are not calculated below this "
135         help="Out of cutoff radius, force constants are set zero.")
139         help="Create supercells with displacements")
143         help="Pair shortest vectors in supercell are stored in dense format.")
146         help="Same behavior as DIM tag")
149         type=int, help="Decimals of values of decimals")
152         help="Calculate (P)DOS")
156         help="Output eigenvectors")
161             help=("Exclude born effective charge and dielectric tensor in "
166         help="Create FORCE_SETS")
170         help="Frequency unit conversion factor")
174         help=("Create FORCE_CONSTANTS from vaspurn.xml. "
179         help=("Options for force constants calculator as comma separated "
184         help="Decimals of values of force constants")
187         help="Force constants input/output file-format")
191         help="Enforce space group symmetry to force constants")
196             default=None, help="Symmetrize force constants")
200         help="Fits total DOS to a Debye model")
204         help=("Squared scale factor multiplied as fc2 * factor^2. Therefore "
209         help="Calculate full supercell force constants matrix")
213         help=("Create FORCE_SETS. disp.yaml in the current directory and "
219         help="Maximum frequency used for DOS or moment calculation")
222         help="Minimum frequency used for DOS or moment calculation")
225         help="Frequency pitch used for DOS or moment calculation")
229         help="Set mesh as Gamma center")
233         help="Calculate group velocities at q-points")
236         help="Delta-q distance used for group velocity calculation")
239         help="Use hdf5 for force constants")
242         help="hdf5 compression filter (default: gzip)")
245         help="Use hiPhive for generating force constants")
249         help="A q-point where characters of irreps are calculated")
252         help="Include force constants in phonopy.yaml")
255         help="Include force sets in phonopy.yaml")
261             help=("Include born effective charge and dielectric tensor in "
266         help="Include displacements in phonopy.yaml")
270         help="Include all output file data in phonopy.yaml")
279         help="Legend of plots is shown in thermal displacements")
283         help="Legacy style band structure pl")
287         help=("Show irreps of little co-group (or point-group of "
291         help="Log level")
294         help="Same as MASS tag")
297         help="Same as MAGMOM tag")
300         help="Mesh output file-format")
303         help="Same as MODULATION tag")
306         help="Same behavior as MP tag")
309         help="Calculate moment of phonon states distribution")
312         type=int, help="Order of moment of phonon states distribution")
316             help="Non-analytical term correction")
319         help="Non-analytical term correction method: Gonze (default) or Wang")
324             default=None, help="Do not symmetrize force constants")
327         help="Set displacements parallel to axes")
330         help="Symmetry is not imposed for mesh sampling.")
334             help="Non-analytical term correction")
337         help="Symmetry is not imposed.")
340         help="Do not write mesh.yaml or mesh.hdf5")
344         help="Plot data")
348         help="Same as PRIMITIVE_AXES tag")
352         help="Same as PROJECTION_DIRECTION tag")
355         help="Same as PDOS tag")
359         help="Set plus minus displacements")
363         help=("Use imaginary frequency as real for thermal property "
370         help="Output projected thermal properties")
373         help="Calculate at specified q-points")
376         help="Q-points output file-format")
379         help=("Direction of q-vector perturbation used for NAC at "
384         help="Print out smallest information")
387         help="Random seed by a 32 bit unsigned integer")
391         help="Number of supercells with random displacements")
395         help="Read FORCE_CONSTANTS")
398         help="Force constants input file-format")
402         help="Read QPOITNS")
406         help="Save plot data in pdf")
410         help="Save parameters that can run phonopy in phonopy_params.yaml.")
414         help="Show IR-Reps along with characters")
417         help="Smearing width for DOS")
421         help="Check crystal symmetry")
425         help="Output thermal properties")
429         help="Output thermal displacements")
434         help="Output thermal displacement matrices")
440         help="Write cif with aniso_U for which temperature is specified")
443         metavar='TEMPERATURE', help="A temperature point")
446         help="Maximum calculated temperature")
449         help="Minimum calculated temperature")
452         help="Symmetry tolerance to search")
456         help="Set displacements of all trigonal axes ")
459         help="Calculated temperature step")
462         help="Detailed information is shown.")
465         help="Assume Wien2k structs with displacements are P1")
469         help="Write FORCE_CONSTANTS")
472         help="Force constants output file-format")
476         help=("Write dynamical matrices. This has to be used "
481         help="Project PDOS x, y, z directions in Cartesian coordinates")
484             "filename", nargs='*', help="phonopy.yaml like file")
487             "filename", nargs='*', help="Phonopy configure file")