[Pw_forum] Atomic-positions VS nat, ntyp

Amin Torabi amin.torabi at gmail.com
Tue May 3 19:07:39 CEST 2011

Hi all,

As far as I can understand, the Atomic-Position input card, which is
mandatory, specifies the type and coordinates of each atom in the unit cell.
Then, my question is why we need to specify the number of atoms, number of
type of atoms and even celldm in the system input card?

Thanks in advance
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110503/407adec9/attachment.html>

More information about the users mailing list