open-shell in periodic GW and local gap printing#2639
Merged
oschuett merged 1 commit intocp2k:masterfrom Feb 28, 2023
ccmt-regensburg:master
Merged
open-shell in periodic GW and local gap printing#2639oschuett merged 1 commit intocp2k:masterfrom ccmt-regensburg:master
oschuett merged 1 commit intocp2k:masterfrom
ccmt-regensburg:master
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Member
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The G0W0_kpoints_in_self_energy_gap_printing.inp test keeps failing under i386. It could just be numerical noise. What would be the best way to tighten the GW band gap a little? |
Member
Author
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Unfortunately, there are many parameters that influence the GW energy levels. For me, it would be perfectly fine to relax the threshold of this regtest to 0.02. |
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