PAWpySeed
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
Functions
pawpyseed.core.symmetry Namespace Reference

Functions

def get_symmops (structure, symprec)
 
def get_nosym_kpoints (kpts, structure, init_kpts=None, symprec=1e-5, gen_trsym=True, fil_trsym=True)
 
def get_kpt_mapping (allkpts, kpts, structure, symprec=1e-5, gen_trsym=True)
 

Function Documentation

def pawpyseed.core.symmetry.get_kpt_mapping (   allkpts,
  kpts,
  structure,
  symprec = 1e-5,
  gen_trsym = True 
)
def pawpyseed.core.symmetry.get_nosym_kpoints (   kpts,
  structure,
  init_kpts = None,
  symprec = 1e-5,
  gen_trsym = True,
  fil_trsym = True 
)
def pawpyseed.core.symmetry.get_symmops (   structure,
  symprec 
)