Dynamic screening (PPA): Difference between revisions

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===Dymanic screening matrix (PPA) for a 2D material===
''Prerequisites''
 
Run [[Initialization]]
 
Run [[Truncated Coulomb potential]]  (only for 2D)


Create the input file:
Create the input file:


  $ yambo -F 02_Wp_wcut.in -r -p p -k hartree
  $ yambo -F 02_Wp.in -p p -k hartree  (for a 3D)
 
or
 
$ yambo -F 02_Wp_2D.in -p p -k hartree -r (for a 2D)


Open the input file
Open the input file
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  % BndsRnXp
  % BndsRnXp
   1 |  40 |                # [Xs] Polarization function bands
   1 |  40 |                # [Xp] Polarization function bands
  %
  %
   NGsBlkXp= 2 Ry  # [Xs] Response block size
   NGsBlkXp= 2 Ry  # [Xp] Response block size


Close the input and run the code
Close the input and run the code


  $ yambo -F 02_Wp_wcut.in
  $ yambo -F 02_Wp.in (for 3D)
 
or
 
$ yambo -F 02_Wp_2D.in (for 2D)

Latest revision as of 20:12, 16 March 2017

Prerequisites

Run Initialization
Run Truncated Coulomb potential  (only for 2D)

Create the input file:

$ yambo -F 02_Wp.in -p p -k hartree  (for a 3D)

or

$ yambo -F 02_Wp_2D.in -p p -k hartree -r (for a 2D)

Open the input file Change the size in G-space and the bands of the polarization function as:

% BndsRnXp
  1 |  40 |                 # [Xp] Polarization function bands
%
 NGsBlkXp= 2 Ry  # [Xp] Response block size

Close the input and run the code

$ yambo -F 02_Wp.in (for 3D)

or

$ yambo -F 02_Wp_2D.in (for 2D)