[CPMD-list] MOVIE file

Veronique Van Speybroeck Veronique.VanSpeybroeck at rug.ac.be
Thu Sep 19 10:17:09 CEST 2002


Hi,

I have a problem generating a MOVIE file.
I use the following input
&CPMD
 RESTART LATEST WAVEFUNCTION
 MOLECULAR DYNAMICS
 QUENCH IONS ELECTRONS
 TIMESTEP
  5
 MAXSTEP
  5000
 NOSE IONS
  300 2000
 PRINT
  10
 ISOLATED MOLECULE
 STRUCTURE BONDS ANGLES
 MOVIE
&END
With the previous version of the CPMD code, such inputfile generated a
MOVIE file.  Now I only get the coordinates of the first step :
       -0.0539       -0.0971       -0.0339   7   0
        0.1197       -0.0722        0.9662   1   0
        0.8501        0.0077       -0.4856   1   0
       -0.5846        0.7402       -0.2543   1   0

What is wrong

Thanks

Veronique

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Dr. ir. Van Speybroeck Veronique
Laboratorium voor Theoretische Fysica
Universiteit Gent
Proeftuinstraat 86
9000 Gent
Tel +32-9-264.65.58  GSM : +32/474/259767
Fax +32-9-264.65.60
email : veronique.vanspeybroeck at rug.ac.be
http://inwfaxp2.rug.ac.be/~web/onderzoek/proj_3.html
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