[CPMD-list] SURFACE KEYWORD

[Ari.P.Seitsonen at iki.fi]

Dear Diego,

>    Which is the coordinate (x, y or z) for which periodic boundary
> conditions are not applied with the keyword SURFACE? And which are the two
> ones for POLYMER?

Do you mean this? (From the manual)

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SURFACE
     Assume {\bf periodic boundary} condition in 
     {\bf $x$- and $y$-direction}.

POLYMER
     Assume {\bf periodic boundary} condition in {\bf $x$-direction}.

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    Greetings,

       apsi

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 Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
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