[Pw_forum] relativitic pseudopotential for Bi, PZ approximation

[Nicola Marzari]

Dear Plato,


the point is that QE is a free, open-source community project, a bit
like Linux (as opposed to, say, Windows or Mac) - the spirit is to try
and empower people to become electronic-structure researchers,
rather than users.

Becoming an expert in pseudopotential generation (or any other
complex task of one's choice) makes someone a better scientist,
in this field. Of course, time is limited, and goals can be
different, so everyone is welcome to make whatever use of the
tool they wish for.

Still, the world will be a more interesting place if everyone
asks oneself what they can do for the community, rather than
what the community can do for them (JFK, more or less).

			nicola


On 12/04/2012 03:33, Peng Tao wrote:
> It's a nice idea but the generation of pseudo is a boring and complicated work. The most important point is the market is too limited and researchers have the choice changing pwscf to VASP or win2k. Thus I am not sure about this deal. It is just my personal view and hope there would be pseudos available as many as possible.
>
> Plato Tao

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Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL