[Pw_forum] Recently generated Ultrasoft PP (IMPORTANT)
Miguel Martínez
miguel.martinez at ehu.es
Fri Apr 3 12:27:31 CEST 2009
Dear Paolo,
On Thu, 2 Apr 2009 22:14:00 +0200 Paolo Giannozzi
<giannozz at democritos.it> wrote:
> Just a reminder:
>
> * USPP generated with ld1.x may have been incorrectly written to
> UPF format v.2 in all 4.0.x versions . The error may have been
> small enough to go unnoticed but may be not negligible. All USPP
> in UPF format tagged as version 2.0.0 should be regenerated.
Excuse me for making a couple of questions:
* Does this mean regenerating USPPs with the CVS version of ld1.x?
* Are there any plans to release a 4.0.5 version with more bugfixes or
will 4.1.0 be the next version?
* Also, I suppose that multiple-projector PPs have been correctly
generated as long as rcut and rcutus are the same, right?
Regards,
Miguel
--
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Miguel Martínez Canales
Condensed Matter Physics Dpt.
UPV/EHU
Faculty of Science and Technology
Apdo. 644
48080 Bilbao (Spain)
Fax: +34 94 601 3500
Tlf: +34 94 601 5326
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