[DFTB-Plus-User] Visualizing periodic systems

Giovanni La Penna glapenna at iccom.cnr.it
Mon Jul 12 10:07:44 CEST 2010


Dear Mandelle,

  The standard xyz format does not include any information on
periodicity. To use VMD, the best thing is
to load the xyz, save coordinates in a PBC-including
format (PDB or XSF). Then, you can easily include
the PBC information in the written file by editing it.
Then reload this latter file with VMD: with the 
Graphics->Representations->Periodic
you will see the replica in selected directions.

           Giovanni
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Giovanni La Penna - National research council (Cnr)
Institute for chemistry of organo-metallic compounds (Iccom)
via Madonna del Piano 10,
I-50019 Sesto Fiorentino, Firenze, Italy
tel.: +39 055 522-5264, fax: +39 055 522-5203
e-mail: glapenna at iccom.cnr.it - http://www.iccom.cnr.it/lapenna
skype: giovannilapenna
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