This is a collection of input files and output files which were used to produce all the data
reported in the following publication:

Tommaso Gorni, Oscar Baseggio, Pietro Delugas, Stefano Baroni, Iurii Timrov
"turboMagnon - A code for the simulation of spine-wave spectra using Liouville-Lanczos approach 
to time-dependent density-functional perturbation theory",
arXiv:2203.01120.

Calculations were performed using the open-source Quantum ESPRESSO distribution,
which can be freely downloaded from www.quantum-espresso.org

The following codes of Quantum ESPRESSO were used:
pw.x             - self-consistent-field ground-state calculation using density-functional theory (DFT);
turbo_magnon.x   - Liouville-Lanczos approach calculation  using time-dependent density-functional 
                   perturbation theory (TDDFPT);
turbo_spectrum.x - post-processing spectra calculation;


CONTENT OF FOLDERS:
 /Chi
    - CrI3.scf.in, CrI3.scf.out                         - input/output files for pw.x
    /M* (folder containing files for the turboMagnon calculations)
        - CrI3.tddfpt*.in, CrI3.tddfpt*.out             - input/output files for turbo_magnon.x
        - CrI3.tddfpt_pp.in                             - input file for turbo_spectrum.x 
        - CrI3hex.plot_chi.dat                          - output files for turbo_spectrum.x
        - CrI3hex.*_term.*                              - lanczos coefficients 
    /My_nopseudo (folder containing files for the turboMagnon calculations with biorthogonal algorithm)
    
 /Chi_q 
    - CrI3.scf.in, CrI3.scf.out                         - input/output files for pw.x
    /noSOC (groud-state calculation without spin-orbit)
           - CrI3.scf.in, CrI3.scf.out                  - input/output files for pw.x
    /SOC_q* (folder containing files for the turboMagnon calculations with spin-orbit)
           - CrI3.tddfpt*.in, CrI3.tddfpt*.out          - input/output files for turbo_magnon.x
           - CrI3.tddfpt_pp.in                          - input file for turbo_spectrum.x
           - CrI3hex.plot_chi.dat                       - output files for turbo_spectrum.x
           - CrI3hex.*_term.*                           - lanczos coefficients  
    /noSOC_q* (folder containing files for the turboMagnon calculations without spin-orbit)
           - CrI3.tddfpt*.in, CrI3.tddfpt*.out          - input/output files for turbo_magnon.x
           - CrI3.tddfpt_pp.in                          - input file for turbo_spectrum.x
           - CrI3hex.plot_chi.dat                       - output files for turbo_spectrum.x
           - CrI3hex.*_term.*                           - lanczos coefficients
     
  /scaling
    - CrI3.tddfpt0.in                                   - input file for turbo_magnon.x
    - o_tm_*                                            - output files for scaling

  /pseudopotentials (folder containing pseudopotentials)
           - Cr_fr_lda.UPF               - pseudopotential for Cr
           - I_fr_lda.UPF                - pseudopotential for I