[Pw_forum] Atomic-positions VS nat, ntyp
Stefano de Gironcoli
degironc at sissa.it
Tue May 3 22:48:52 CEST 2011
because the code reads one line for every atom...
how many lines ? nat
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
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> Pw_forum at pwscf.org
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