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Enviado: viernes, 13 de junio de 2014 02:58 a.m.
Para: A Mailing list for WIEN2k users
Asunto: Re: [Wien] Band structure with SO
Look at the sequence of programs in case.dayfile (or in :log).
When calculating a spin-polarized bandstructure with so you have to keep
the sequence of the lapw1/la
Look at the sequence of programs in case.dayfile (or in :log).
When calculating a spin-polarized bandstructure with so you have to keep
the sequence of the lapw1/lapwso steps:
x lapw1 -band -up # without -orb, this will be added in the so step
x lapw1 -band -dn
x lapwso -up -orb # here one
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