[Wien] band structure

[Peter Blaha]

Yes, you can do it simultaneously.

Am 08.09.2011 13:49, schrieb Lukasz Plucinski:
> Dear Wien2k experts,
>
> I am running spin-polarized case, with pre-compiled binaries in single-CPU mode on older double-CPU Linux machine.
>
> I need calculate band structure on the mesh of k-points for Fermi/constant-energy surface cut simulations. Due to large number of k-points the calculation takes a bit longer than
> for standard high-symmetry directions. Is it allowed to run:
>
> x lapw1 -band -up
> x lapw1 -band -dn
>
> simultaneously ? This way I would use both CPUs and decrease the waiting time.
>
> Regards,
> Lukasz
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                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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