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Philipp Rüssmann
authored
Works only for the Chebychev solver and for this combination of inputs: <use_chebychev_solver>= T # requires Chebychev solver <calc_gmat_lm_full>= T # activates computation of the full Gmat <gflle_to_npy>= T # switch from writing a fortran file (gflle) to numpy npy files for each atom and energy <use_qdos>= T # optional, use qvecs from qdos mode for k-points This version is still experimental.
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