The ABINIT Users Mailing List ( CLOSED )

[raphael.petion@isen.fr]

Dear abinitioners,

   I would like to set a computation of a 1-dimensional potential in a FCC 
lattice. Nevertheless, I need to know the potential along the (001) FCC axis 
and not the ones of my primitive rhomboedral cell.
   I believe prt1dm does the calculation along these last ones, and so I have 
to use another cell with twice more atoms, which will take much longer to 
calculate (or write some code to manually compute the potential's average). 
Is this correct ?
   

Thanks in advance,
Raphael Petion.