[Q-e-developers] Hubbard manifold

Paolo Giannozzi p.giannozzi at gmail.com
Fri Sep 1 16:32:44 CEST 2017


Currently pw.x saves the atomic wavefunctions with a related Hubbard term
into the old "distributed" format (one tmp_dir/prefix.hub* file per
processor).
Questions:
a) which codes read that file? for sure, pmw.x, gipaw.x, others?
b) couldn't these code just regenerate the manifold?
c) alternatively: shouldn't the format of the Hubbard manifold be the same
as for wavefunctions?

Paolo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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