[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?



Miguel Martínez Canales
   Condensed Matter Physics Dpt.
   Faculty of Science and Technology
   Apdo. 644
   48080 Bilbao (Spain)
Fax:  +34 94 601 3500
Tlf:  +34 94 601 5326

 "If you have an apple and I have an apple and
 we exchange these apples then you and I will
 still each have one apple. But if you have an
 idea and I have an idea and we exchange these
 ideas, then each of us will have two ideas."

 George Bernard Shaw 

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