Thank you very much Gavin for detailed description, I will try it.

Dear Prof. Fecher,
I tried it but it was not well separated in columns.
After each 15 data points, there is overlapping in the evergy, k-points and
the thrid column 0.70. so if start to well separate them, it may take too
much time. So that's why I asked for any other solutions.

Do have any idea why I am getting overlapping in colum data after each
15-20 rows?


On 04-Jan-2017 12:10 PM, "Fecher, Gerhard" <> wrote:

Why not simply using Data--Export--ASCII in (XM)Grace ?
Works in Linux, Windows, and most probably also in iOS.


DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:
"I think the problem, to be quite honest with you,
is that you have never actually known what the question is."

Dr. Gerhard H. Fecher
Institut of Inorganic and Analytical Chemistry
Johannes Gutenberg - University
55099 Mainz
Max Planck Institute for Chemical Physics of Solids
01187 Dresden
Von: Wien [] im Auftrag von Gavin
Abo []
Gesendet: Mittwoch, 4. Januar 2017 06:35
An: A Mailing list for WIEN2k users
Betreff: Re: [Wien] Regarding bands.agr format

.dat is a generic extension often used for any "data" file. So which
.dat format?  There are different text and binary [1] .dat formats out

If your trying to plot k (column 4) vs E (column 5) [2,3] in Origin, you
should be able to import the case.spaghetti_ene into Origin [4].  You
just need to figure out the import data settings [5] to get the data to
come in as you want it.  After the import, you should be able to export
as a .dat [6].

There is a WIEN2k Matlab plotting script in section "10.7.2
Bandstructure Plot" of the thesis titled "Angle Dependent
Magnetoresistance in Ti2Ba2CuO6+𝛿" [7] that you can see as an example.
You could modify it to output a .dat in your preferred data format or
use it as a guide to make a program in the coding language of your choice.

[1] Ascii vs. Binary Files:

On 1/3/2017 11:06 AM, Dr. K. C. Bhamu wrote:
> Dear users
> May I know, how to convert case.bands.agr file in *.dat format?
> Sincerely
> Bhamu
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