-
https://github.com/pseewald/fprettify
-
## System
* Abinit version = 9.4.1
* OS version and architecture = Ubuntu 20.04, x86-64
* Fortran compiler = gnu
* MPI implementation (if any) = openmpi-3
* Extra libraries activated …
-
On Ubuntu 20.04.3 LTS, I try to compile and test wannier90 develop branch. For more information about the steps, see the following:
```
$ git clone https://github.com/wannier-developers/wannier90.…
-
https://physik.lists.uzh.ch/sympa/arc/wannier-berri/2022-04/msg00000.html
-
**Describe the bug**
I'm trying to compile Quantum Espresso (QE) as described in the [documentation](https://qmcpack.readthedocs.io/en/develop/installation.html#installing-and-patching-quantum-espres…
-
There are several of the `wannier90` examples that have WIN files with an errant `kpoints` block; each line in the block has 4 numbers, instead of 3, as specified in the user guide. It appears that th…
-
The DFTK - Wannier90 interface pointed out that it could be useful to be able to "unfold" the k-grid, that is to retrieve the full range of k-point from a reduced by symmetry k-grid. For now, any scf …
-
Hi, I am using this code to get symmetrized hr file. It is running perfectly fine. I have added the symmetry manually. However, when I am plotting the band structure, original and symmetrized band str…
-
Hi @stepan-tsirkin,
I would like to make 2 feature requests. It'd be great to calculate the spin Berry curvature contributions to the SHC just like the bands+shc task in the kpath module and the s…
-
## Background
In ABACUS, we use INPUT file to choose what we want the program to do.
1. There are some variables don't have output in OUT.suffix/INPUT file, user can use this file to check all input…