[Wien] band in Hybrid functunal sumhfpara'

[tran at theochem.tuwien.ac.at]

sumhfpara does not run in parallel simply because this is the program
which merges the vector files case.vectorhf_1, case.vectorhf_2,
etc. created by hf on processors 1, 2, etc.
Anyway, sumhfpara is very fast (a few seconds). This is hf which is very
expensive. How many k-points are you using for plotting band structure?
Maybe you should choose less k-points.

F. Tran

On Tue, 12 Nov 2013, ali ghafari wrote:

> Dear Prof. Blaha
> I'm calculating the band structure by hybrid functional B3LYP. for polting band structure as
> discussed on page 53 of UG, we should run "run_bandplothf_lapw -p" which will takes about two weeks
> for a structure with 2 atoms.
>  I see,
>   lapw1 -band -p
>   hf -band -p
>   sumhfpara -band -d
> 
> my question is: why 'sumhfpara' can not run on parallel? 
> Best Regards
> Ali
> 
>