ABINIT Discussion Forums

Hi,

I have used the script below to calculate the phonon spectra of W (BCC)
#Input file for 'band2eps.' This data layout must be used, line-by-line.
#number of atoms in a cell :
1
#minimum value, maximum value and number of tics of the vertical axe :
-1.0 9.0 11
#Units : 1 for cm-1, 2 for THz :
1
#Number of lines :
7
#Description of the points in q space :
gamma H N gamma P N P H
#Number of q points for each line :
10 10 10 10 10 10 10
#Scale factor for each line :
0.8660254 0.70710678 0.50000 0.4330127 0.4330127 0.4330127 0.8291562
#COLOR DEFINITION :
#put 1 in place of the atom you want to be colored in
#red
0
#green
0
#

but after I run band2eps the image does not display. I get the error
** (evince:98741): WARNING **: Error rendering thumbnail
undefined -21


What have I done wrong?

Thanks.

I won't be very helpful but I would recommend to use your own plotting software to plot the band structure.
After running anaddb, you should have a file with the suffix .freqs
If you add as a first column in this file, a column index (1 2 3 4 ...) or a distance to the first qpt, you should recover the result of band2eps.

Cheers

PS : I used to use band2eps until recently because of several issues

Dear acl06,

Following the error message, evince fails to render your eps image.
Could you try another software to open your eps ? Inkscape, or "display" might do it.
If it still doesn't work, could you upload the files needed by band2eps as well as your eps, so that we can reproduce your problem (input file, .freq and .displ) ?
Then we might get deeper into the problem to find where it comes from.

Otherwise, as a comment to the reply of Jordan, instead of writing yet another software to display band structures, Abipy is able to plot phonon band structures directly from the PHBST.nc file.
See http://github.com/gmatteo/abipy for more information about this package

Yannick

ygillet wrote:as a comment to the reply of Jordan, instead of writing yet another software to display band structures, Abipy is able to plot phonon band structures directly from the PHBST.nc file.

I did not mean to write a new software but to use your own (not the one in Abinit) software like grace, gnuplot, latex+pgfplots, matplotlib, AbiPy ;o)

Good luck with installing AbiPy )

Jordan

Hi,

Thanks for the suggestions. I have just written a python script as it always works.