[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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