Static screening: Difference between revisions
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$ yambo -F 02_Ws.in -b -k hartree (for a 3D material) | $ yambo -F 02_Ws.in -b -k hartree (for a 3D material) | ||
or | or | ||
$ yambo -F | $ yambo -F 02_Ws_2D.in -b -k hartree -r (for a 2D) | ||
Open the input file | Open the input file | ||
Line 17: | Line 17: | ||
Close the input and run the code | Close the input and run the code | ||
$ yambo -F 02_Ws.in | $ yambo -F 02_Ws.in -J 3D | ||
or | |||
$ yambo -F 02_Ws_2D.in -J 2D |
Revision as of 17:18, 16 March 2017
Static screening matrix
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
Close the input and run the code
$ yambo -F 02_Ws.in -J 3D
or
$ yambo -F 02_Ws_2D.in -J 2D