[Wien] How to combine energy files created by k-point parallelization

Peter Blaha pblaha at theochem.tuwien.ac.at
Sun Sep 12 07:47:42 CEST 2010


Look into these files.
I bet you can do it.

Am 11.09.2010 20:15, schrieb Md Zubaer Hossain:
> Dear Wien2k users,
>
> Would it be possible to know if there's a way to combine the energy
> files created by k-point parallelization "case.energy_*" into a single
> energy file "case.energy" such that the file "case.energy" would look
> like the way an MPI parallelization or a serial run would have created
> for the same system.
>
> Thanks in advance,
> Zubaer
> UIUC
>
>
>
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-- 
Peter Blaha
Inst.Materialchemie, TU Wien
Getreidemarkt 9
A-1060 Vienna
Austria


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