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

Ari.P.Seitsonen at iki.fi Ari.P.Seitsonen at iki.fi
Thu Aug 15 13:56:06 CEST 2002


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!!

-- 
-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
 Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
 Tel +41 1 635 44 97 / Fax +41 1 635 68 38 / GSM +41 79 719 09 35      
 Anschrift: Physikalisch Chemisches Institut (PCI), Universität Zürich (UniZh)
 Indirizzo: Winterthurerstraße 190, CH-8057 Zürich
 Address:   Schweiz / Svizzera / Suisse / Svizra / Switzerland



More information about the CPMD-list mailing list