If you used "sudo apt-get install mpb" and it did not give you any
errors, then all the dependencies like Guile, libctl, etc should have
been installed as well.
However your command looks wrong. You seem to have tried to run a script
in interactive mode.
There are two ways to run MPB:
1) Interactively
2) With a script
1) Interactively:
-
Just type "mpb" in a terminal and press enter.
After that, your command prompt should change to something like "mpb>".
You can then directly enter the commands from the wiki, such as:
(set! num-bands 8)
2) With a script:
-
In this case, you pass a .ctl file to mpb, such as the one attached to
this e-mail, which runs the first simulation from the official tutorial.
To do this, you run the following command:
mpb MPB-official-tutorial.ctl
All the output will be printed in the terminal.
If you want to save it, you redirect the output to a file using ">" like
this:
mpb MPB-official-tutorial.ctl > MPB-official-tutorial.out
Here are some command-line tutorials if you want more info about
redirections, etc:
http://cli.learncodethehardway.org/book/
http://linuxcommand.org/
And the MPB tutorial, which explains all the MPB basics:
http://ab-initio.mit.edu/wiki/index.php/MPB_User_Tutorial
On 06/10/15 17:31, ASHINA wrote:
> I have installed MPB through command line using the following command
> sudo apt-get install mpb
> but whenevr I try to run the following
> mpb> abc.ctl >& abc.out
> I get an error of unbound variable.
> Is there a problem in my installation of MPB. Are all the packages like
> BLAS, LAPACK etc not installed or am I doing anything else wrong?
>
>
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> mpb-discuss@ab-initio.mit.edu
> http://ab-initio.mit.edu/cgi-bin/mailman/listinfo/mpb-discuss
>
; based on http://ab-initio.mit.edu/wiki/index.php/MPB_User_Tutorial (first
part only)
(set! num-bands 8)
(set! k-points (list (vector3 0 0 0) ; Gamma
(vector3 0.5 0 0) ; X
(vector3 0.5 0.5 0) ; M
(vector3 0 0 0))) ; Gamma
(set! k-points (interpolate 4 k-points))
(set! geometry (list (make cylinder
(center 0 0 0) (radius 0.2) (height infinity)
(material (make dielectric (epsilon 12))
(set! geometry-lattice (make lattice (size 1 1 no-size)))
(set! resolution 32)
(run-te) ; Not in a code block on the wiki, but mentioned in the text.
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