Inconsistencies with different Yambo Versions
Posted: Wed May 31, 2023 4:09 pm
Dear Yambo Developers,
The BSE results from different Yambo version 5 releases are not consistent with each other even when the input files are exactly the same. I attached an image for Silicon done with different versions.
i) Firstly, for Version 5.1.2, the results with and without terminator do not match (both are converged w.r.t to bands) but when done with 5.0.4 using same input files, both with and without XTermKind='BG' gave the same results (as shown in the plot).
ii) Last and mostly importantly, the BSE spectrum does not agree with different versions (also shown in the figure). Both yambo versions gave me different results.
Could you please comment on why do I see these discrepancies and what version to stick to?. I attached the report and input files (input files are same for all cases except changing the XTermKind parameter).
The Job names for attached files:
withBG. -> 5.1.2 with XTermKind = 'BG'
withnoBG -> 5.1.2 with out XTermKind = 'BG'
withBG504 -> 5.0.4 with XTermKind = 'BG'
withnoBG504 -> 5.0.4 with out XTermKind = 'BG'
Thank you,
Best regards,
Murali
The BSE results from different Yambo version 5 releases are not consistent with each other even when the input files are exactly the same. I attached an image for Silicon done with different versions.
i) Firstly, for Version 5.1.2, the results with and without terminator do not match (both are converged w.r.t to bands) but when done with 5.0.4 using same input files, both with and without XTermKind='BG' gave the same results (as shown in the plot).
ii) Last and mostly importantly, the BSE spectrum does not agree with different versions (also shown in the figure). Both yambo versions gave me different results.
Could you please comment on why do I see these discrepancies and what version to stick to?. I attached the report and input files (input files are same for all cases except changing the XTermKind parameter).
The Job names for attached files:
withBG. -> 5.1.2 with XTermKind = 'BG'
withnoBG -> 5.1.2 with out XTermKind = 'BG'
withBG504 -> 5.0.4 with XTermKind = 'BG'
withnoBG504 -> 5.0.4 with out XTermKind = 'BG'
Thank you,
Best regards,
Murali