[Octopus-users] UPF pseudopotentials

[Xavier Andrade]

Hi Ivan,

You might still have to remove one extra line (that is not mentioned in 
the specifications), but octopus 3.2.0 reads the pseudopotentials 
correctly and gives corrects results (for all the pseudos we tested).

I would still recommend you to verify the output to check that the lmax 
and lloc are properly read and compare the results with pwscf for some 
simple systems (just the atomic systems are enough).

Cheers,

Xavier

On Mon, 29 Mar 2010, ivan marri wrote:

> Dear all,
> I would like to ask you if the new version of octopus  (3.2.0)
> correctly reads  the UPF pseudopotential generated using the ld1.x
> program (quantum espresso package).
>
> Thank
> Ivan
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