[CPMD-list] unknown keywords?

[Ari.P.Seitsonen at iki.fi]

Dear Kristina,

> &CPMD
> OPTIMIZE WAVEFUNCTION
> STRUCTURE BONDS ANGLES
> RESTART WAVEFUNCTION COORDINATES
> FILEPATH /u/ac/kwoods/waterdata
> &END
> 
> &SYSTEM
> ANGSTROM
> SYMMETRY
> 1
> CELL
> 9.65  1.0 1.0  0  0  0
> CUTOFF
> 70.0
> POINT GROUP
> AUTO
> &END

You should provide the argument for 'FILEPATH' on the following, not
the same line as the keyword. Now "&END" is understood as the path to
the files, thus the end of the section '&CPMD' is no found in time.

    Greetings from Zurich with thunderstorm,

       apsi

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