From 4113c1f74115d1f1cda63d7b81d4988d50787482 Mon Sep 17 00:00:00 2001 From: Johan Schott Date: Wed, 21 Feb 2024 20:50:34 +0100 Subject: [PATCH] small update of the README.md --- README.md | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/README.md b/README.md index 7b54216..41a1b4c 100644 --- a/README.md +++ b/README.md @@ -47,11 +47,11 @@ make check ``` - 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 @@ -74,8 +74,8 @@ The non-interacting Hamiltonians read from file by the scripts `run_Ni_NiO_Xbath - 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