Published August 2, 2022
| Version v_0.1
Software
Open
lucassamir/ElPh: v1.0.0
Authors/Creators
Description
Electron-Phonon coupling of organic materials with Python
- Unwrap cell with periodic boundary conditions
- Calculate transfer integrals between unique pair of cells
- Calculate gradient of transfer integral with finite differences method
- Calculate standard deviation of the transfer integral
- Visualization module of the standard deviation
Files
lucassamir/ElPh-v_0.1.zip
Files
(133.5 kB)
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md5:6942b2cd69c16fc2b5c5eb6f181af5b3
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Additional details
Related works
- Is supplement to
- https://github.com/lucassamir/ElPh/tree/v_0.1 (URL)