NSDRLIISc / e2e
End-to-end code for predicting Curie temp. and other magnetic properties of 2D materials.
☆13Updated 2 years ago
Alternatives and similar repositories for e2e:
Users that are interested in e2e are comparing it to the libraries listed below
- Examples for the TB2J code☆16Updated 9 months ago
- Automatic construction of wannier functions for any 3D transition metal based system with or without SOC☆13Updated 3 years ago
- Unfolding the band structure of a supercell obtained with VASP☆24Updated 2 years ago
- Useful tools integrated for VASP/Wannier90 interface☆12Updated 2 years ago
- DFT post processing tools☆23Updated 8 months ago
- Visualizations☆13Updated 3 years ago
- Construct phonon tight-binding model and calculate its topological properties☆26Updated 5 years ago
- Automatic search for the most stable magnetic state of a given structure☆21Updated last year
- ☆18Updated 5 years ago
- A python project for quasi-harmonic properties calculations☆9Updated 7 years ago
- TDEP Tutorials☆25Updated 3 months ago
- Tutorial for Wannier2022☆14Updated 3 months ago
- Exchange parameters of Heisenberg model calculation via Green's function approach☆34Updated last year
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- quick analysis of vasp calculation☆35Updated 9 months ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆30Updated last year
- Builds 2D heterostructures via coincidence lattice theory.☆14Updated last year
- Interfacial Phonon code☆26Updated 2 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆26Updated 3 months ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆12Updated 3 years ago
- VASP WAVECAR parser (Plotting pseudo wavefunction and get wavecar brief info)☆17Updated 2 years ago
- ☆29Updated 8 months ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- Magnetic critical temperature Calculator☆17Updated 11 months ago
- Tools for Phono(3)py power users.☆32Updated last year
- Tutorial files for alamode☆12Updated 7 months ago
- A computational framework to automate point defect calculations☆35Updated 6 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆27Updated 4 months ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 10 months ago