[Wien] change of structure during run_lapw

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[Wien] x lapw2 -p -qtl fails with shared memory configuration

Dear Wien community, indeed, the problem I reported in my last mail is solved, when using the vec2old_lapw version that was distributed in the mailing list by Peter Blaha on march, 7th. Best regards, Ulrich Wedig -- - Dr. Ulrich

[Wien] MAE

Dear all, I'm beginner user of Wien2k. For my scientific job I need to calculate Magnetocrystalline Anisotropy energy (MAE) of magnetite Fe3O4. I have read User Guide and Orbital package in WIEN (P.Novak, 2002), but I don't understand, how to do this calculations. I'll be?very?appreciate?if you