[Wien] LDA+U changed between the versions?

[mazin]

They are identical within 10^-8

On 8/3/2010 11:45 AM, Laurence Marks wrote:
>> I do not see how. I start with the charge densities that in the old version
>> were fully converged, the output was identical to the input.
>>
>
> Is the density matrix converged -- look in case.dmatup_old&
> case.dmatup (I think). It is quite possible to have the densities
> converged (e.g. :DIS), but the density matrix not -- this is then an
> unfeasible solution (called a trap). I suspect this has happended many
> times in the past and been mistaken for a real solution.
>