<div dir="auto">Thank you very much Gavin for detailed description, I will try it.<div dir="auto"><br></div><div dir="auto">Dear Prof. Fecher,</div><div dir="auto">I tried it but it was not well separated in columns.</div><div dir="auto">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.</div><div dir="auto"><br></div><div dir="auto">Do have any idea why I am getting overlapping in colum data after each 15-20 rows?</div><div dir="auto"><br></div><div dir="auto">Sincerely </div><div dir="auto">Bhamu</div><br><div class="gmail_extra" dir="auto"><br><div class="gmail_quote">On 04-Jan-2017 12:10 PM, "Fecher, Gerhard" <<a href="mailto:fecher@uni-mainz.de">fecher@uni-mainz.de</a>> wrote:<br type="attribution"><blockquote class="quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Why not simply using Data--Export--ASCII in (XM)Grace ?<br>
Works in Linux, Windows, and most probably also in iOS.<br>
<br>
Ciao<br>
Gerhard<br>
<br>
DEEP THOUGHT in D. Adams; Hitchhikers Guide to the Galaxy:<br>
"I think the problem, to be quite honest with you,<br>
is that you have never actually known what the question is."<br>
<br>
==============================<wbr>======<br>
Dr. Gerhard H. Fecher<br>
Institut of Inorganic and Analytical Chemistry<br>
Johannes Gutenberg - University<br>
55099 Mainz<br>
and<br>
Max Planck Institute for Chemical Physics of Solids<br>
01187 Dresden<br>
______________________________<wbr>__________<br>
Von: Wien [<a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at">wien-bounces@zeus.theochem.<wbr>tuwien.ac.at</a>] im Auftrag von Gavin Abo [<a href="mailto:gsabo@crimson.ua.edu">gsabo@crimson.ua.edu</a>]<br>
Gesendet: Mittwoch, 4. Januar 2017 06:35<br>
An: A Mailing list for WIEN2k users<br>
Betreff: Re: [Wien] Regarding bands.agr format<br>
<div class="elided-text"><br>
.dat is a generic extension often used for any "data" file. So which<br>
.dat format? There are different text and binary [1] .dat formats out<br>
there.<br>
<br>
If your trying to plot k (column 4) vs E (column 5) [2,3] in Origin, you<br>
should be able to import the case.spaghetti_ene into Origin [4]. You<br>
just need to figure out the import data settings [5] to get the data to<br>
come in as you want it. After the import, you should be able to export<br>
as a .dat [6].<br>
<br>
There is a WIEN2k Matlab plotting script in section "10.7.2<br>
Bandstructure Plot" of the thesis titled "Angle Dependent<br>
Magnetoresistance in Ti2Ba2CuO6+𝛿" [7] that you can see as an example.<br>
You could modify it to output a .dat in your preferred data format or<br>
use it as a guide to make a program in the coding language of your choice.<br>
<br>
[1] Ascii vs. Binary Files:<br>
<a href="https://www.cs.umd.edu/class/sum2003/cmsc311/Notes/BitOp/asciiBin.html" rel="noreferrer" target="_blank">https://www.cs.umd.edu/class/<wbr>sum2003/cmsc311/Notes/BitOp/<wbr>asciiBin.html</a><br>
[2]<br>
<a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg00803.html" rel="noreferrer" target="_blank">http://www.mail-archive.com/<wbr>wien@zeus.theochem.tuwien.ac.<wbr>at/msg00803.html</a><br>
[3] <a href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2007-August/009659.html" rel="noreferrer" target="_blank">http://zeus.theochem.tuwien.<wbr>ac.at/pipermail/wien/2007-<wbr>August/009659.html</a><br>
[4]<br>
<a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg10643.html" rel="noreferrer" target="_blank">http://www.mail-archive.com/<wbr>wien@zeus.theochem.tuwien.ac.<wbr>at/msg10643.html</a><br>
[5] <a href="http://www.originlab.com/doc/User-Guide/Import-Data" rel="noreferrer" target="_blank">http://www.originlab.com/doc/<wbr>User-Guide/Import-Data</a><br>
[6] <a href="http://www.originlab.com/doc/Origin-Help/Export-Wks-Mat" rel="noreferrer" target="_blank">http://www.originlab.com/doc/<wbr>Origin-Help/Export-Wks-Mat</a><br>
[7] <a href="http://matthewfrench.net/thesis/matt_thesis.pdf" rel="noreferrer" target="_blank">http://matthewfrench.net/<wbr>thesis/matt_thesis.pdf</a><br>
<br>
On 1/3/2017 11:06 AM, Dr. K. C. Bhamu wrote:<br>
> Dear users<br>
> May I know, how to convert case.bands.agr file in *.dat format?<br>
><br>
> Sincerely<br>
> Bhamu<br>
______________________________<wbr>_________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.<wbr>at</a><br>
<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" rel="noreferrer" target="_blank">http://zeus.theochem.tuwien.<wbr>ac.at/mailman/listinfo/wien</a><br>
SEARCH the MAILING-LIST at: <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" rel="noreferrer" target="_blank">http://www.mail-archive.com/<wbr>wien@zeus.theochem.tuwien.ac.<wbr>at/index.html</a><br>
______________________________<wbr>_________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.<wbr>at</a><br>
<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" rel="noreferrer" target="_blank">http://zeus.theochem.tuwien.<wbr>ac.at/mailman/listinfo/wien</a><br>
SEARCH the MAILING-LIST at: <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" rel="noreferrer" target="_blank">http://www.mail-archive.com/<wbr>wien@zeus.theochem.tuwien.ac.<wbr>at/index.html</a><br>
</div></blockquote></div><br></div></div>