[CPMD-list] Surface Setup -- inconsistent behaviour?

Urs Zimmerli urs at zimmer.li
Fri Aug 16 17:59:02 CEST 2002


Dear Ari, dear all,

I would just like to confirm consistent behaviour when using the Poisson 
Solver of
Jens Mortensen. The Geometries and Energies of the SURFACE setup are
consistent again, with the ones of a super cell setup.

With best regards and thank you for your help
urs



Ari.P.Seitsonen at iki.fi wrote:

>Hi Urs,
>
>  After consulting "highly respected sources" I would suggest you to
>try using the Poisson solver of Jens Mortensen (POISSON SOLVER
>MORTENSEN), as this is most likely much better tested with the SURFACE
>option than the default Hockney solver.
>
>    Yours,
>
>       apsi
>
>PS Please always reply also to the mailing list when answering mails!!
>






More information about the CPMD-list mailing list