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edoapra 2023-02-05 14:55:26 -08:00
parent feddab9da6
commit c0a37c8dd2
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2 changed files with 323 additions and 334 deletions
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5
QA/tests/hi_zora_sf/hi_zora_sf.nw
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@ -11,12 +11,11 @@ basis spherical
end
set dft:no_prune T
set dft:job_grid_acc 1d-20
set dft:tol_rho 1d-30
dft
grid xfine
grid lebedev H 350 18 I 350 18
grid huge
tolerances acccoul 15
xc b3lyp
end

652
QA/tests/hi_zora_sf/hi_zora_sf.out
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