This is enough.
Don't use -eece in lapw2. This would "destroy" your scf solution, since
the dmats,... would come from a wrong k-mesh.
Am 24.04.2024 um 21:50 schrieb Pavel Ondračka:
Dear Wien2k mailing list,
is this enough for spaghetti with band character for onsite hybrids?
x lapw1
Dear Wien2k mailing list,
is this enough for spaghetti with band character for onsite hybrids?
x lapw1 (-up/-dn) -orb -band
x lapw2 (-up/-dn) -qtl -band
or do I need also -eece -orb switches for lapw2?
Best regards
Pavel
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