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mailhexu / TB2J

a python package for computing magnetic interaction parameters
BSD 2-Clause "Simplified" License
67 stars 29 forks source link

Problem in plotting magnon_band.pdf #8

Closed kyohn1004 closed 3 years ago

kyohn1004 commented 3 years ago

Dear Developers, Thank you very much for this nice code :-)

Here I have a problem about plotting [magnon_band.pdf] using [TB2J_magnon.py] Attached is the magnon dispersion of BCC Fe. When I use [v0.4.4.1], there is no problem. However, when I use a higher version ([v0.6.0] and [v0.6.1]), the plot looks strange.

Here I used the same [exchange.xml] for the two cases. The only difference is the effect of [TB2J_magnon.py --qpath GNPGHN] from the different version of TB2J.

Thanks :-) With best regards, Kyohoon

magnon_band_v0.4.4.1.pdf magnon_band_v0.6.0.pdf

mailhexu commented 3 years ago

Dear Kyohoon, Thanks for reporting this. Indeed a bug has been introduced in the new version ( I merged a unfinished branch by accident). In the version 0.6.3 the old behavior is restored. Please update to it.

Best regards, HeXu

kyohn1004 commented 3 years ago

Dear HeXu, Thank you very much for this quick reply. Just now I checked the version 0.6.3, and I found that it works fine.!

Have a nice weekend, and thanks again for your help on weekend :-) With best regards, Kyohoon