This PR is ready to be considered. I will leave it opened, in case you want to have a look at it.
Basic implementation:
Add input files to run DFT calculations for the examples.
Main (most interesting points):
Renovate some of the examples and add new ones. All examples have now a directory dft_inputs with the files required to run the corresponding DFT calculation.
Update test_cli.py to include the new examples.
Fix bugs in Wannier90 interface.
Fix bug in Abinit interface, for the case when nkpt=1.
This PR is ready to be considered. I will leave it opened, in case you want to have a look at it.
Basic implementation:
Add input files to run DFT calculations for the examples.
Main (most interesting points):
dft_inputs
with the files required to run the corresponding DFT calculation.test_cli.py
to include the new examples.Wannier90
interface.Abinit
interface, for the case whennkpt=1
.