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To whom this may concern,
Hi! I'm wondering if there's an example or script about the unfolding method which can treat vacancies in the structure.
Thanks a lot and have a nice day!
Best regards…
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Hi!
First, thanks so much for making such a great tool.
I'm using BandUpPy for band unfolding, and I've got it working fine on a work desktop. But, our university cluster uses the more modern hdf…
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Dear bands4vasp Developers,
Thank you for the band unfolding code. I have used bands4vasp for band unfolding. I would like know how can I choose the energy range for band unfolding plot. My presen…
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Dear BandUP Developers,
I am getting one error while generating SC k-path. Please help me to solve this problem. I have attached here the inputs.
[step_2_get_kpts_to_be_used_in_the_SC_band_s…
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### todo/open for discussion
Seems feature complete? ;)
### done
* [x] `consult-info` dynamic info search based on `consult--dynamic-collection`. See #634 and #128 for an earlier draft. The wik…
minad updated
12 months ago
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Dear bands4vasp Developers,
I have done one band unfolding of NbSe2 supercell (rectangular) on the BZ of hexagonal NbSe2 unit cell. However, I can not see clearly the unit cell band patterns in th…
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Hi,
I am trying to unfold the band structure of a defect Nb0.8CoSb on its primitive fcc structure NbCoSb.
I am facing few problems while unfolding as follows
1. it is not detecting the symmtery pr…
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Dear Professor Zheng,
Thanks for this excellent work!
Could you please add a citation option to this repository so I can cite your work in my publications?
Best,
Yifeng
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Hi,
I am trying to do band unfolding of BiSe-NbSe2 misfit structure on NbSe2 hexagonal unit cell. I am using VASP for my calculation. I have already generated the CHGCAR file for the misfit struct…
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Hello;
i compiled the last version of bandup. i m using python 2.7 and as default and QE 6.4. when following the tutorial example 2 ( bulk Si) and in the step 4 i have an error:
You have compi…