ABINIT Discussion Forums

Hi,
I have a suggestion for the PAW dataset part of the web site. I suggest that, rather than having 4 different pages with 4 different periodic tables, we have just one page with one periodic table, and then, clicking on an element leads you to the various possiblities, as in:

Ti -> Abinit recommended (if any)
Abinit contributed (if any)
Atompaw generated
USPP generated

what do you think?

Joe

Hi Joe,

That's exactly what is planed... (Alain and I should meet in February to discuss about that).

But, instead of having, for each element, a list of psps indexed by the generator code, I would prefer the following:
Element X:
>- LDA, without semi-core
>>>>- psps1 recommended
>>>>- psps2 recommended
>>>>- contributed
...
>- LDA + semicore
...
>- GGA
...
>- datasets for GW

>- core states files

etc...

Is that following your odeas ?

Marc

Sure, any internal organization within a given element is fine with me, my main point is to show users (especially relative beginners) just a single periodic table to choose from. That also will show better that we have now much of the table filled in, one way or another.

Joe

Hello, I'm on my way back home from being a tutor at the abinit school in Lausanne, and this issue of the PAW web site came up multiple times from multiple student users--they REALLY want a consistent interface to the available PAW datasets and more help with how to choose them. We need to make this reorganization of the PAW data web site a real priority!!

Joe

Joe,

We had a meeting in February on that specific subject in LLN (I guess Xavier told you that).
It's now in the hands of our LLN colleagues.
I wrote a doc with the "battle plan". I'll send it to you.

Marc