https://github.com/alexbuccheri/wp_benchmarks

WP2 Benchmarks
https://github.com/alexbuccheri/wp_benchmarks

Last synced: about 2 months ago
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WP2 Benchmarks

• Host: GitHub
• URL: https://github.com/alexbuccheri/wp_benchmarks
• Owner: AlexBuccheri
• Created: 2022-03-21T14:14:08.000Z (almost 3 years ago)
• Default Branch: master
• Last Pushed: 2022-09-22T21:00:22.000Z (over 2 years ago)
• Last Synced: 2024-10-28T10:28:27.639Z (3 months ago)
• Language: Jupyter Notebook
• Size: 1.26 MB
• Stars: 0
• Watchers: 2
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md

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README

        
# Ground State and G0W0 for WP2 Benchmarks

Inputs and outputs for G0W0 convergence w.r.t. q-grid and number of empty states can be found in `GW_results/`.

Processing G0W0 convergence w.r.t. q-grid and number of empty states:

```bash

python3 GW_analysis/silicon.py 

python3 GW_analysis/tio2.py 

python3 GW_analysis/zno.py 

```