wannier90

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There are two versions of fundamental constants implemented: CODATA 2010 and 2006. The header of `constants.F90` says that the default is CODATA 2010, https://github.com/wannier-developers/wannier90/blob/897a527d473b1a41db094c4a924db700a549a538/src/constants.F90#L26-L29 while `README.install` says CODATA 2006 is...

jaemolihm

In section _gyrotropic_, the input tag `berry_task` should be `gyrotropic_task`.

jincao2013

Developing the nerwann module to calculate thermomagnetic coefficients

Emad-Rezaei

Errant parsing of parameters that can be a list of integers

5

For parameters that can be specified as a list of integers, such as `exclude_bands` and `select_projections`, there is a convenient notation that allows for individual integers and integer ranges to...

jimustafa

add more whitespace checking and fixes

2

jimustafa

We can keep the main tests (a few of them) at every commit, but we can move the advanced ones to nightly builds, e.g. to go down to < 5...

giovannipizzi

Dear Developers, May I know, that wannier90 provides the Hamiltonian matrix elements in real space only or it also provides them in k space? As far as I know, the...

Simba2805

param_read_chk: Mismatch in nntot

3

This problem occurred when I calculated the band with "restart = plot", while there was no problem if I directly calculated the band. I am pretty sure that the .chk...

hetian-chen

Increase digits printed by plot_bvec

3

`seedname.bvec` file is used by EPW, and I found small but nonzero (~1E-6) relative error from the round-off errors in bvec. Such a small error rarely affects physics but it...

jaemolihm

Automatic k-point grid generation

1

@jimustafa wrote "Is it possible to just use the mp_grid parameter to generate the kpoints for the NNKP file and internally? Having both the mp_grid and kpoints seems redundant, but...

jryates