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Dear Developers,
I need to ask one question regarding the orbital resolved unfolded bands.
The orbital resolved results that we get, that is the total orbital contribution ?
For example, I am a…
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Dear bands4vasp Developers,
First of all, many thanks for the unfolding package. I have done the band unfolding for the all my systems. I need to do the 2D Fermi surface unfolding plot as shown in…
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5, I would only get level 5. As implemented, I get levels 1 through 5; which does make sense.
In an ideal situation, I would love to be able to specify the comparison function/operator (e.g. `
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# 💭
### how you can help _1_ of _n_
#### I gave this my best effort as someone with writing difference trying to relate to others with a more traditional communication style — it is undignifyi…
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Hello, I installed phonopy via conda, and first ran `pytest` to check everything out. It had a couple warnings but also failed two tests: `test_get_supercell_Cr` and `test_get_primitive_convcell_Cr`. …
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貼吧活動:(請查閱 [SARS-CoV-2 Timeline by 2020.02.21](https://github.com/agorahub/_meta/blob/agoran/theagora/sari/Memorandum_2020-02-21_SARS-CoV-2-Timeline_Nathan.pdf?raw=true), by Nathan :cloud: )
- Colla…
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Hi!
The current testsuite suggests that we should allow types of the form
```ocaml
type t = A of t [@@unboxed]
```
Even though it is acceptable, this type is inhabited by no OCaml runtime value…
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Hi,
If I use sumo-kgen for orthorhombic cell only with substitute one atom by a dopant atom, sumo reads lattice type as monoclinic.
Still can we use the suggested path?
Best regards,
Ibra
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Dear Stepan,
I am experiencing the following issue when unfolding bandstructure of 2x2 supercell of NbSe2 to hexagonal PC of NbSe2. A typical feature of the transition metal dichalcogenides is the …
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Hi,
what is the function of sumo-bandstats -s
I read that the default is samples 3 k-points when determining the effective masses. what does it mean? if I change that number I got different ef…