Pearson

class ase2sprkkr.physics.lattice_data.Pearson(pearson_symbol, bravais_number, family, centering_type, herman_mauguin, shoenflies)[source]

This class holds informations about translation symmetry of a lattice with a given Pearson symbol.

Class hierarchy

Inheritance diagram of ase2sprkkr.physics.lattice_data.Pearson

Constructor

__init__()
xband_data()[source]

Data used by Xband sysfile and SPRKKR to describe translation symmetry.

static from_symbol(pearson_symbol)[source]

Return the Pearson symbol (describing the translation symmetry) that corresponds to the given Pearson symbol

Parameters:

pearson_symbol (str)

static normalize_symbol(pearson_symbol)[source]

Normalize a Pearson symbol to its cannonical shape

pearson = None

Mapping of all possible Pearson symbols to Pearson objects

pearsons = {'aP': ('aP', 1, 'triclinic', 'primitive', '-1', 'C_i'), 'cF': ('cF', 13, 'cubic', 'face-centered', 'm3m', 'O_h'), 'cI': ('cI', 14, 'cubic', 'body-centered', 'm3m', 'O_h'), 'cP': ('cP', 12, 'cubic', 'primitive', 'm3m', 'O_h'), 'hP': ('hP', 11, 'hexagonal', 'primitive', '6/mmm', 'D_6h'), 'hR': ('hR', 10, 'trigonal', 'primitive', '-3m', 'D_3d'), 'mP': ('mP', 2, 'monoclinic', 'primitive', '2/m', 'C_2h'), 'mS': ('mS', 3, 'monoclinic', 'primitive', '2/m', 'C_2h'), 'oF': ('oF', 7, 'orthorombic', 'face-centered', 'mmm', 'D_2h'), 'oI': ('oI', 6, 'orthorombic', 'body-centered', 'mmm', 'D_2h'), 'oP': ('oP', 4, 'orthorombic', 'primitive', 'mmm', 'D_2h'), 'oS': ('oS', 5, 'orthorombic', 'body-centered', 'mmm', 'D_2h'), 'tI': ('tI', 9, 'tetragonal', 'body-centered', '4/mmm', 'D_4h'), 'tP': ('tP', 8, 'tetragonal', 'primitive', '4/mmm', 'D_4h')}