Band structure

Posted on : February 13, 2017 (Mon) 21:18:54

by Leonardo

Dear all
I am a beginner to use the code AkaiKKR .I tried to calculate band structure by spc.
How can i trace the results of spc under "origin" ?

[Re:03] Band structure

Posted on : February 17, 2017 (Fri) 09:37:35

by Hitoshi GOMI

Hello Leonardo,

> I have a problem reading the contents of data / fe_up.spc.

It seems the Origne problem.

> Second question how can I trace the results of data / fe_up.spc and data / fe_dn.spc in the same graph.

As far as I know, spc plot program does not support multi-plot.
But again, the spc file is a text file, you can plot it as you like.

Hitoshi

[Re:02] Band structure

Posted on : February 17, 2017 (Fri) 06:50:23

by Leonardo

Hello Hitsho
I know this method to draw graphs under lunix, but I need to know how I can trace it under origin because I have a problem reading the contents of data / fe_up.spc.
Second question how can I trace the results of data / fe_up.spc and data / fe_dn.spc in the same graph.
For example to trace the data / fe_up.spc spc I use the command (spc data / fe_up.spc) what is the command used to trace both ??

[Re:01] Band structure

Posted on : February 14, 2017 (Tue) 22:25:43

by Hitoshi GOMI

Hello Leonardo,

The calculated spc file (e.g. data/fe_up.spc) is a text file, so that any graph-plotting software can read the numerical value and plot it as a color map.
With the default setting (iwrtfmt=3 in source/spmain.f), spc file is the matrix format.
If you set iwrtfmt=1, you can use the X-Y-Z format.
See also source/wrtspc.f and source/readk.f for further information.

Hitoshi