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In this example, the StaticFW correctly used "PBE_54" but the NonSCFFW failed due to a positive energy and, on inspection, saw that the POTCAR was different from the StaticFW.
Am I doing anything wrong, or is this a bug? Also observed this with a HSE gap FW.
The text was updated successfully, but these errors were encountered:
When setting a custom POTCAR functional, it does not seem to pass to a child firework.
See this minimal example:
In this example, the StaticFW correctly used "PBE_54" but the NonSCFFW failed due to a positive energy and, on inspection, saw that the POTCAR was different from the StaticFW.
Am I doing anything wrong, or is this a bug? Also observed this with a HSE gap FW.
The text was updated successfully, but these errors were encountered: