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Protocol: Use v1.2 of SSSP and PBEsol by default #884

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merged 1 commit into from
Feb 2, 2023

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@mbercx mbercx commented Jan 31, 2023

Now that aiida-pseudo v1.0 has been released with support for v1.2 of the SSSP, we can switch to using this as the default for our protocols.

A recent discussion with @giovannipizzi and Nicola also led to the decision to use PBEsol by default for the protocols, since this functional typically leads to improved results for solid state systems.

@mbercx mbercx requested a review from sphuber January 31, 2023 09:43
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Thanks @mbercx . I take it the motivation for this has been discussed with the higher-ups ^^

@sphuber sphuber merged commit 403141b into aiidateam:main Feb 2, 2023
@mbercx mbercx deleted the update-sssp branch February 6, 2023 08:16
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2 participants