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Commit 38dbc4cf authored by Philipp Rüssmann's avatar Philipp Rüssmann
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Write G_LL'(k,E) to npy files

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.
parent a34347b9
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