The ABINIT Users Mailing List ( CLOSED )

[benjamin.tardif@umontreal.ca]

In fact, I wrote such a program quite recently.
The program will be available in the next release version of Abinit.

The program is named AbinitBandStructureMaker.py
It is written in Python.

In order to use the program, you'll first need to install python on your
computer.
( You can dowload it for free at : www.python.org/download )

Here is how to proceed:

1) Run the program on a .out file.
It will produce a .dbs file (dbs stands for : Datas for Band Structure)

2) Edit the .dbs file and modify the following elements, if you wish.
- graph title
- number of valence bands
- fermi energy
- special k-points captions and reduced coordinates
- band structure scheme

3) Run the program on the .dbs file.
It will produce a .agr file which can be viewed with the xmgrace program.

A complete documentation will be provided in the next release version of 
Abinit.

If you want to experience the program before the next release of Abinit,
just ask me and I will send you a beta version of the program.
Any bug report will be welcome !

Benjamin Tardif