The correspondence between file name and the code of figure is listed below
| file name | figure |
|---|---|
| spin_flip_scan_vol.py | 6(b) |
| spin_flip_const_vol.py | 6(c) |
| magmom_exch_const.py | 7(a) |
| magnon_spectrum.py | 7(b) |
| phonon.py | S? |
NOTE: There is also a code to calculate the elastic properties, by elastic.py.
There are files in which basic functions are implemented, for user do not need to take care, they are:
- utils.py
- abacus.py
- deltaspin.py
Please read the leading instruction in each file. All codes can be run and produce figure directly after a proper assignment of parameters.
For each code, please always read the lines in
if __name__ == '__main__':
# ...block.
NOTE: before running all these codes, please make sure the proper conda virtual environment has been activated. Not:
(base) /path/to/your/work/folder:~
Instead,
(DeltaSpin_devel) /path/to/your/work/folder:~
. To activate the environment with specific name (e.g., DeltaSpin_devel), in your prompt:
conda activate DeltaSpin_devel