The ABINIT Users Mailing List ( CLOSED )

[marc.torrent@cea.fr]

Hello,

As you know, PAW is a relatively new feature in Abinit ; it has just been 
opened for production...
Abinit is a big code with lot of possibilities and the way to have 
implemented PAW in every part of the code is a long way.

When running PAW, output files contain several additional informations...
Perhaps xcrysden is not adapted to these new data contained in the XSF file 
(in particular in the header of the file).

If you want to investigate the problem, you're welcome... and share what you 
find on the mailing list.
But I think compatibilty with xcrysden is not a priority for PAW developpers 
(response function in Abinit is one, for instance).

Marc Torrent
CEA-Bruyeres-le-Chatel - France




>I would like to ask a question about visulaization of
>electronic densty with cut3d & xcrtsden.
>
>I tested PAW/USPP potential with ver. 4.6.4(pclinux_ifc_seq) and
>Test calclations have finished without problem.
>
>However, XSF file generated by cut3d
>cannot be read correctly by xcrysden
>when I used PAW/USPP potential.