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merge of phys-interp-screen#220

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andrea-ferretti merged 28 commits into
5.4from
phys-interp-screen
Mar 23, 2026
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merge of phys-interp-screen#220
andrea-ferretti merged 28 commits into
5.4from
phys-interp-screen

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@andrea-ferretti
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@andrea-ferretti andrea-ferretti commented Dec 1, 2025 •
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W-average for metallic screening.
The merge can be done, after the following issues are addressed:

  • Some of the newly added files (rim_integrate_w.F, QP_interpolate_W.F) are huge, and a cleanup is definitely needed, I've left some comments in the headers of the files.
  • One needs to decide whether the graphene-specific screening is included in the main release or not (personally I would leave it in a separate branch)
  • Some refs in the test suite need to be updated (a phys-interp-screen branch should be created with the updated refs)

@daniele-varsano
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daniele-varsano commented Dec 1, 2025

*I agree clean up is needed.
*Graphene specific I agree can be left out
*I cannot see the comments in the headers

andrea-ferretti and others added 17 commits December 9, 2025 15:28
@andrea-ferretti
Merge branch '5.4' into phys-interp-screen
58970b5
@giacomosesti
Minor changes of precision
85b5cb8 
Added a comment
@giacomosesti
Some cleaning and code length shortening
2fab30c
@giacomosesti
Missing end do
a0aa2fd
@giacomosesti
wrongly cancelled variable assignement
b8c77b2
@giacomosesti
Some cleaning, break part rimw_check procedure. Solved Xmat assigneme…
f22ee87 
…nt issue in src/qp/QP_interpolate_W.F of no consequence, involved next nearest neighbours values not used
@giacomosesti
explicit indication of precision
d86dc8a
@giacomosesti
subroutine splitted from QP_interpolate_W.F with check of interpolati…
6275a2f 
…on procedure
@andrea-ferretti
gpu bug fixed when computing off-diagonal matrix elements of MPA sgm
2eb6b81
@giacomosesti
changed YAMBO_ALLOC to ALLOCATE within OMP loops in QP_mpa.F
8c8d22f
@giacomosesti
Wrong assignement of the wings indices in rim_integrate_w.F
4fa3c2a
@giacomosesti
replaced wrong operation sign in src/qp/QP_mpa.F
e6ee789
@giacomosesti
Removed error signal of MPA with DmRnge(0)=0.0, changed it to a warni…
32504ab 
…ng that applies only in case of metals. \n In this latter case DmRnge(0) is adjusted to 0.0001
@nicspalla
In case of Q_parallelism in the self-energy, the MPA-specific
aca7f56 
MPI parallelism is turned off like the G_parallelism.
@giacomosesti
changed G_mprop calling in input
97f207b
@giacomosesti
Merge branch 'phys-interp-screen' of github.com:yambo-code/yambo into…
19dae2e 
… phys-interp-screen
@giacomosesti
remove activation barrier for GDamping and G_mprop if DysSolver=g
52d316f
@giacomosesti giacomosesti changed the title merge of devel-interpolate-screening merge of phys-interp-screen Mar 11, 2026
@andrea-ferretti andrea-ferretti merged commit 0f7153e into 5.4 Mar 23, 2026
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sangallidavide commented Mar 23, 2026

Ciao, is there any test in the test-suite connected to this PR ?

@andrea-ferretti
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andrea-ferretti commented Mar 25, 2026

Giacomo Sesti is working to include the tests in the test suite (indeed, due).

@sangallidavide sangallidavide mentioned this pull request May 3, 2026
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@andrea-ferretti @daniele-varsano @sangallidavide @alberto-guandalini @giacomosesti @nicspalla