because the code reads one line for every atom... how many lines ? nat stefano
On 05/03/2011 07:07 PM, Amin Torabi wrote: > 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 > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110503/919d0bf6/attachment.htm
