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Merge pull request #48 from JohanSchott/small_update_of_README
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small update of README.md
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JohanSchott committed Feb 21, 2024
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```

- To perform a simulation, first create a directory somewhere on your computer.
Then execute one of the example scripts in the `scripts` folder. E.g. type:
Move to that directory and then execute one of the example scripts in the `scripts` folder. E.g. type:
```bash
path/to/folder/impurityModel/scripts/run_Ni_NiO_Xbath.sh
```
This will create start a simulation with 10 bath states and one MPI rank.
This will start a simulation with 10 bath states and one MPI rank.
To have e.g. 20 bath states instead of 10, instead type:
```bash
path/to/folder/impurityModel/scripts/run_Ni_NiO_Xbath.sh 20
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- The bash-scripts in the `scripts`-folder act as templates and can easily be modified. For example, to set the temperature to 10 Kelvin in `get_spectra.py`, add `--T 10` as input when calling the python-script.

#### Output files
Input parameters used are saved and stored in `.npz` format.
Spectra are saved to the file `spectra.h5`.
The input parameters to the simulation are saved in `.npz` format.
Calculated spectra are saved to the file `spectra.h5`.
Some small size spectra are also stored in `.dat` and `.bin` format, for easy and fast plotting with e.g. gnuplot.
For plotting all generated spectra (using matplotlib), type:
```bash
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