ABINIT Discussion Forums

Hello,
I am using the get_irrep.py tool to determine the symmetry of the vibrational modes of the BaFCl system (space group 129).
Times ago it was working properly, recently I noted that the utility does not start, maybe there is a problem with the connection to the Bilbao Crystallographic Server (maybe related to the way the request is made).
Can you help me?

Thanks!
Enza

Hello Enza,

I'm afraid the script does not work anymore - the old version of the Bilbao server would spit out an xml file which could be used by my script, but this stopped functioning a few years ago... I have not managed to extract information from them about getting another format by script... It must be possible, at worst by doing a web page request instead of xml, but I have not had time or tried.

If anyone has a little time to investigate (simplest would be to write them an email explaining what we need and used to have), it would be wonderful.

Best

Matthieu