Hello,
Il giorno 27/mag/2011, alle ore 20.05, Tram Bui ha scritto:
> Dear Gabriele,
> Thank you for your respond. Just to make sure that I'm understanding your
> answer correctly, below is a shortcut on the output file of my PP testing:
>
> -- Testing the pseudopotentia
Dear Gabriele,
Thank you for your respond. Just to make sure that I'm understanding
your answer correctly, below is a shortcut on the output file of my PP
testing:
-- Testing the pseudopotential --
scalar relativistic calculation
atomic numb
Il giorno 26/mag/2011, alle ore 01.00, Tram Bui ha scritto:
> Dear Paul,
>In the file that I have attached here (Paul's note on PP generation),
> under section 3.10: checking for transferability, you have mentioned about
> the:"The error on total energy di?erences
> between PP and AE re
Dear Dr. Paolo Giannozzi,
I'm so sorry I got your name wrong on the last email. Please forgive my
mistake.
Sincerely,
Tram Bui
On Wed, May 25, 2011 at 5:00 PM, Tram Bui wrote:
> Dear Paul,
>In the file that I have attached here (Paul's note on PP
> generation), under section 3.10: c
Dear Paul,
In the file that I have attached here (Paul's note on PP generation),
under section 3.10: checking for transferability, you have mentioned about
the:"The error on total energy di?erences
between PP and AE results gives a feeling on how good the PP is." Do you
mean the difference i
