The ABINIT Users Mailing List ( CLOSED )

["Resul Eryigit" <resul@ibu.edu.tr>]

dear engin,
you need the keywords

paral_kgb 1
npkpt 1

for band parallel calculation if you are using the verion 5.5.2

resul

> An increase in speed can not be noticed. Do you have an idea about what i
> am doing wrong? Thank you in advance...
>
> Engin
>
>
> nband   16
> iscf    5
> nstep   100
> toldfe  1.0d-5
>
> npband 2 (4 and 8)
> npfft 1
> timopt -1
> fftalg 401
> wfoptalg 4
> fft_opt_lob 2
> iprcch 0
> intxc 0
> nloalg 4
> istwfk 1
>
> # System
> acell  18.0 18.0 18.0
> angdeg 60.0 60.0 60.0
> ecut   30.0
> natom  2
> ntypat 1
> znucl  79
> typat  1 1
> xangst
>   0.0 0.0 -1.3550
>   0.0 0.0  1.3550
>
> # Common parameters
> ixc    1
> nkpt   1
> kpt    0.0 0.0 0.0
> wtk    1.0
> occopt 1
> diemac 1.0
>
>
> ------------------------------------------------------------------
> Engin Durgun
> University of Liege
> Physics Department, Bat. B5    Phone : ++(32) (0)4-366.36.12
> B-4000 Sart Tilman             Fax : ++(32) (0)4-366.36.29
> Belgium                        e-mail: engin.durgun@ulg.ac.be
> ------------------------------------------------------------------
>
>
>
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