Dear Prof. Blaha and others,
I am attempting to work backward from a Wien2k working directory to fully
describe the simulation provenance. I have run into some trouble in attempting
to extract the core/valence cuttoff value (default set to -6.0 Ry). I assume
this should be recorded somewhere
Hello Richard,
In outputst at the bottom there'll be a final list of orbitals with a
T/F value in the core-state column. Where it switches from true to false
is where the ecut was set, an exact value is not recorded as far as I know.
If you want to check the value you yourself provided to
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