[Q-e-developers] Pseudopotential Page
Stefano de Gironcoli
degironc at sissa.it
Wed May 9 13:43:43 CEST 2012
I share Stefano's feelings.
I think the pseudopotential table should be easily accessible
maybe what can be done is to add a sentence after
Ready-to-use pseudopotentials are available for elements marked with a
link in the periodic table below. Click on the element entry and follow
the link to access these pseudopotentials and a minimal description of
their characteristics.
stating
If you do not find here the PP you need, please have a look at the
PSlibrary project on QE-forge: it contains many more PP.
More information about the naming convention adopted for PP files and
the Unified Pseudopotential Format can be found in the linked pages.
///Important Note: although most of these PPs were published or used
with satisfactory results in published work, we cannot give any warranty
whatsoever that they fit your actual needs./
stefano
On 05/08/2012 12:29 PM, Paolo Giannozzi wrote:
> Please have a look at the pseudopotential page
> in the new web site:
> http://www.quantum-espresso.org/?page_id=190
> and at the "About" page linked on the right:
> http://www.quantum-espresso.org/?page_id=282
> In my opinion, they should be exchanged: the
> latter as the main PP page, the former linked
> by the menu on the right. Any comments?
>
> P.
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