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    38dbc4cf
    Write G_LL'(k,E) to npy files · 38dbc4cf
    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.
    38dbc4cf
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    Write G_LL'(k,E) to npy files
    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.