[xcrysden] Xcrysden 1.5.53

[Tone Kokalj]

On Tue, 2013-04-23 at 19:47 +0000, Zhu, Jianxin wrote:
> Dear Tone and Xcrysden users,
> 
> I installed Xcrysden 1.5.53 on my linux box.
> For some unknown reason, the generated k-path in "Open WIEN2k" for fcc
> structure does not give me right band structure.
> I can exclude all other possibilities in the bandstructure software itself
> --- By replacing the k-path with the one generated from 1.5.24 on my mac
> machine, the band structure comes up correctly.  I will do more tests by
> also using 1.5.53 installed on my other Mac OSX machine.

Have you compared the k-point coordinates between the two versions?
Do they differ?

Regards,
-- 
Anton Kokalj
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia 
(tel: +386-1-477-3523 // fax:+386-1-477-3822)

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