[Wien] Regarding bands.agr format

[Fecher, Gerhard]

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

Ciao
Gerhard

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
and
Max Planck Institute for Chemical Physics of Solids
01187 Dresden
________________________________________
Von: Wien [wien-bounces at zeus.theochem.tuwien.ac.at] im Auftrag von Gavin Abo [gsabo at crimson.ua.edu]
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
there.

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:
https://www.cs.umd.edu/class/sum2003/cmsc311/Notes/BitOp/asciiBin.html
[2]
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg00803.html
[3] http://zeus.theochem.tuwien.ac.at/pipermail/wien/2007-August/009659.html
[4]
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg10643.html
[5] http://www.originlab.com/doc/User-Guide/Import-Data
[6] http://www.originlab.com/doc/Origin-Help/Export-Wks-Mat
[7] http://matthewfrench.net/thesis/matt_thesis.pdf

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
_______________________________________________
Wien mailing list
Wien at zeus.theochem.tuwien.ac.at
http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
SEARCH the MAILING-LIST at:  http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html