Static screening: Difference between revisions
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NGsBlkXs= 2 Ry # [Xs] Response block size | NGsBlkXs= 2 Ry # [Xs] Response block size | ||
[[Variables: | [[#Variables:htest6|NGsBlkXs]] = 2 Ry # [Xs] Response block size | ||
Revision as of 10:48, 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
Close the input and run the code
$ yambo -F 02_Ws.in -J 3D
or
$ yambo -F 02_Ws_2D.in -J 2D