[Pw_forum] About supercell App.

[mohsen modaresi]

Hi every body
I read all discussion about 'super cell' generation, But i can't understand.
In 2009 there is a discussion about supercell generation and any body
refferd to PHON code, But i could'nt install PHON.
Is there any why to determine the parameters?
for example could you explain this part of a SCF calculation for Pt-H2-Pt
chain.
      ibrav=8,
      celldm(1)=18.0,------>This
      celldm(2)=1.0,--------->This
      celldm(3)=2.21412992, ----->  This
      ...
ATOMIC_POSITIONS {angstrom}
Pt    0.000    0.000   0.000----->and this
Pt    0.000    0.000   2.410----->and this
Pt    0.000    0.000   4.820----->and this
Pt    0.000    0.000   7.230----->and this
H     0.000    0.000   8.900----->and this
H     0.000    0.000   9.780----->and this
Pt    0.000    0.000  11.450----->and this
Pt    0.000    0.000  13.860----->and this
Pt    0.000    0.000  16.270----->and this
Pt    0.000    0.000  18.680----->and this
suppose we want to change (Pt--->Cu) how can i get new parameters?
Thanks so much for your answers
Mohsen Modarsei
M.Sc student of solid state physics\
Ferdowsi University of Mashhad
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