[QE-users] wfc files with PP

Paolo Giannozzi p.giannozzi at gmail.com
Tue Jun 5 11:39:23 CEST 2018


On Tue, Jun 5, 2018 at 11:11 AM, Bruno Madebène <bruno.madebene at upmc.fr>
wrote:

>
> If I make a cube file with pp:
> with option 17 (valence charge density) or 21 (with core correction) the
> only temporary file is tmp.pp which is normal.
> with option 8 (elf, with the patch https://gitlab.com/QEF/q-e/issues/34)
> n ***.wfc files (where n is the number of MPI process used) are created and
> left in the working directory.
>

this is a quick and dirty and dumb and inefficient way to maintain
compatibility between "collected" and "distributed" formats  (I wrote it
many years ago so I have the right to criticize it). As soon as the old
format disappears (starting from the next version) it will be possible to
replace the quick and dirty and etc. way with something more sensible

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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