Difference between revisions of "Static screening"

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Line 21: Line 21:
  NGsBlkXs= 2 Ry              # [Xs] Response block size
  NGsBlkXs= 2 Ry              # [Xs] Response block size
  [[Variables#NGsBlkXs|NGsBlkXs]] = 2 Ry              # [Xs] Response block size
  [[Variables#NGsBlkXs|NGsBlkXs]] = 2 Ry              # [Xs] Response block size
  [[Variables#test6|NGsBlkXs]] = 2 Ry              # [Xs] Response block size
  [[Variables#test7|NGsBlkXs]] = 2 Ry              # [Xs] Response block size
   
   



Revision as of 10:57, 20 March 2017

Prerequisites

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


Create the input file
$ yambo -F 02_Ws.in -b -k hartree     (for a 3D material)

or

$ yambo -F 02_Ws_2D.in -b -k hartree -r  (for a 2D)

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

% BndsRnXs
  1 |  40 |                 # [Xs] Polarization function bands
%
NGsBlkXs= 2 Ry              # [Xs] Response block size
NGsBlkXs = 2 Ry              # [Xs] Response block size
NGsBlkXs = 2 Ry              # [Xs] Response block size

Close the input and run the code

$ yambo -F 02_Ws.in  -J 3D

or

$ yambo -F 02_Ws_2D.in -J 2D