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[TORRENT Marc <marc.torrent@cea.fr>]

Hello Matthieu,
It's difficult to answer without any additional info.
Did you also look at Dij amplitude (should be on the order of some 
Hartree) ?
If yes, the problem occurs in Abinit and not in uspp...

You also can try to change the pseudization scheme for partial waves (by 
playing with ptryc and npf USPP variables) ?

I suppose you verified you have enough bands...

Could you send me the input file and the part of output where ETOT in 
printed out ?

Marc


Matthieu Verstraete a écrit :
> Thank you very much Marc!
>
> I've improved the paw markedly by increasing the local potential rcloc
>
> However, I still get the oscillations in some cases (certain acell 
> during a cell optimization). The rhoij are now nice and small. I did 
> try your first suggestion of playing with the eeread ref energies, but 
> that usually made things worse.
>
> Any more hints? The etot fluctuations are now bigger: instead of 
> staying around 1e-9 it oscillates between 1e-7 and 1e-10. The overall 
> behavior is tolerable, but why are there configurations where the scf 
> gets stuck this way?
>
> Thanks again
>
> Matthieu