triqs_dft_tools.converters.plovasp.proj_shell.ComplementShell.extract_tmatrices

ComplementShell.extract_tmatrices(sh_pars)

Extracts and interprets transformation matrices provided by the config-parser. There are two relevant options in ‘sh_pars’:

‘tmatrix’ : a transformation matrix applied to all ions in the shell ‘tmatrices’: interpreted as a set of transformation matrices for each ion.

If both of the options are present a warning is issued and ‘tmatrices’ supersedes ‘tmatrix’.

Flag ‘self.do_transform’ is introduced for the optimization purposes to avoid superfluous matrix multiplications.