quantumNerd / Quantum-Espresso-Tutorial-2019-ProjectsLinks
☆228Updated 5 years ago
Alternatives and similar repositories for Quantum-Espresso-Tutorial-2019-Projects
Users that are interested in Quantum-Espresso-Tutorial-2019-Projects are comparing it to the libraries listed below
Sorting:
- Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.☆166Updated this week
- A Python library for electronic structure pre/post-processing☆195Updated 2 weeks ago
- A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.☆255Updated 7 months ago
- Python program to evaluate off-resonance Raman activity using VASP code as the backend.☆180Updated 9 years ago
- Electronic transport properties from first-principles calculations☆157Updated last week
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆223Updated this week
- Ab initio simulator for thermal transport and lattice anharmonicity☆182Updated 2 weeks ago
- band plot using python matplotlib☆177Updated last year
- Heavyweight plotting tools for ab initio calculations☆235Updated 7 months ago
- Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations☆217Updated this week
- ab-initio nonadiabatic molecular dynamics program☆116Updated last year
- 1D density functional theory code in Python☆140Updated 2 years ago
- New ASE compliant Python interface to VASP☆135Updated 3 years ago
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆146Updated 8 months ago
- Effective Mass Calculator for Semiconductors☆110Updated 5 years ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆90Updated 5 years ago
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆175Updated last month
- Phonon anharmonicity analysis from molecular dynamics☆134Updated 2 months ago
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆271Updated last week
- Useful scripts for VASP☆194Updated 3 years ago
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆121Updated 3 years ago
- n2p2 - A Neural Network Potential Package☆240Updated 8 months ago
- Visualise lattice vibrations☆106Updated 6 months ago
- Phonon code☆443Updated this week
- Solvation model for the plane wave DFT code VASP.☆167Updated 2 months ago
- ☆60Updated 2 years ago
- The Materials Project Workshop Curriculum☆116Updated 2 years ago
- WannierTools: An open-source software package for novel topological materials. Full documentation:☆311Updated 6 months ago
- p4vasp, the VASP Visualization Tool☆150Updated 3 years ago
- i-PI: a universal force engine☆281Updated 2 weeks ago