[Q-e-developers] Hubbard manifold

[Davide Ceresoli]

Ciao Paolo,

actually I was looking that .hub files might not be necessary
in GIPAW. I think I'm using technique (b) (i.e. regenerate on the fly).
This would also solve the problem with Jia Chen. I will investigate

Best,
     Davide



On 09/01/2017 04:32 PM, Paolo Giannozzi wrote:
> 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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