Real Axis and Lifetimes

[ypan]

Dear All,

Recently, I learn the Yambo code and run the example of real-axis GW and lifetimes by latest Yambo-master code. However, how to obtain the beautiful band structures plus the lifetimes as shown in the first picture in this example (http://www.yambo-code.org/wiki/index.ph ... _Lifetimes ). Is it the result of LiF? I have not found the corresponding input and output files about this picture in the website of Yambo.

Anybody would like to give some suggestions or example files to obtain this picture?

Thanks.

Best regards,

Yipeng

HTU

[Daniele Varsano]

Dear Yipeng,

the first picture in the tutorial it is just illustrative. I doubt it is LiF, most probably diamond or another semiconductor. Note it seems anyway a GW band structure overexposed to an experimental ARPES spectrum. Whoever has prepared this picture hopefully can provide more details.

Best,
Daniele

[ypan]

Thank you, Daniele.

Hope the people who prepared this picture can provide more details.

It seems that the lifetimes calculation can work well only when the kpoints in the nscf is set as "automatic". It does not work when the K_POINTS is set to the k-point path along high symmetry points.

Thanks.

[Daniele Varsano]

Dear Ypan,
please sign your post with your name and affiliation, this is a rule of the forum and you can dance for all filling your signature in the user profile.

Yes, Yambo needs uniform grids in order to make integration over the Brilluon zone. Eventually you can interpolate your results over a given path.
Best,
Daniele

[ypan]

Thank you, Daniele.

Best,

Yipeng