This is a collection of input and output files that were used to produce all the data reported
in the following publication:
Tommaso Gorni, Oscar Baseggio, Pietro Delugas, Iurii Timrov, and Stefano Baroni,
"First-principles study of 1 the gap in the spin excitation spectrum of the CrI3 honeycomb ferromagnet",
accepted to Phys. Rev. B Letter, arXiv:2212.09516
Calculations were performed using the open-source Quantum ESPRESSO distribution
which can be downloaded from www.quantum-espresso.org.
The following codes of Quantum ESPRESSO were used:
pw.x - the code that performs ground-state DFT calculations
turbo_magnon.x - the code to compute magnons using TDDFPT
turbo_spectrum.x - the post-processing program to plot the magnetic spectra
DESCRIPTION OF FOLDERS:
- DFT: input and ouput files for the DFT ground-state calculation
- TDDFT: input and ouput files for the TDDFT calculations of magnons
- Fitting_k_cones: scripts to perform the fitting of cones around the K point