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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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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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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…
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Dear Banduppy team,
When I am calculatting the unfolding band of MoS2 using Abinit 9.4.1 and Banduppy. The k-path.py and the WF file are obtained. However, when I run the banduppy script (k-path-su…
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Hi,
1) Is it possible tom do Fermi Surface unfolding using b4vasp ?
2) Can one get the Iso-surface for other energy cuts than Fermi level ?
3) Is the b4vasp works only with the VASP 6.0 or high…
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Dear @stepan-tsirkin and @paulovcmedeiros,
I have recently decided to use banduppy (I use it with QE 6.4), but firstly test it with different set ups. I have a couple of question, regarding the ou…
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Hi,
Is there any plan to support reading and writing rasters to/from R using the `raster` and `terra` packages?
For instance, if I have to read a raster from GRASS GIS and I want to use `terra` …
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I'm confused. went to do a new set of maps, and for some reason, they are ordered and named differently, and I don't have rotated maps corresponding with the cube map pattern. I'm using the same comma…
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TL;DR - ERC721s have a ton of creators and a few marketplaces, but no accepted means for transferring royalties from items being sold multiple times on secondary sales. This EIP is proposing a standar…