[CPMD-list] DENSITY.x

[Ari P Seitsonen]

Dear Veronique,

  The density files are not written by default. They should be written 
with the keyword 'RHOOUT'. You might also be interested in the option
"CUBEFILE DENSITY", however as a &PROPerty calculation.

    Greetings,

       apsi

-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
 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

On Mon, 3 May 2004, Veronique Van Speybroeck wrote:

> Hi,
> 
> does anybody know if the file DENSITY.x is by default written?  In my 
> case it is never produced.
> Do you have to include something special in the input file?
> 
> Thanks in advance
> 
> veronique
> 
> -- 
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> Dr. ir. Van Speybroeck Veronique
> Laboratorium voor Theoretische Fysica
> Universiteit Gent
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> email : veronique.vanspeybroeck at ugent.be
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> 
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