[Pw_forum] About LDA+U

[Matteo Cococcioni]

I just confirm that the bug was fixed by Stefano de Gironcoli few months 
ago. so in the cvs version (maybe also in the latest releases)
norm-atomic should not be needed anymore. As far as I remember the code 
also prints at the beginning of the output few lines saying
that it's normalizing the atomic wavefunctions of the pseudo.

Matteo


Paolo Giannozzi wrote:
> Nicola Marzari wrote:s:
>
>> Last - extra-care should be paid to the fact that some of the 
>> pseudopotentials in the PWSCF database have non-normalized atomic 
>> wavefunctions 
>
> fixed in the CVS version (at least based on the annoying
> messages that are issued when non-normalized atomic
> wavefunctions are found)
>
> Paolo
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