[xcrysden] Xcrysden 1.5.53

Zhu, Jianxin jxzhu at lanl.gov
Tue Apr 23 21:47:05 CEST 2013


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 noticed this kind of problem?   Or does it mean I installed
Xcrysden 1.5.53 incorrectly on my linux box?

Thank you in advance for the help.

Best regards,

Jianxin




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