quantumNerd / Quantum-Espresso-Tutorial-2019-Slides
☆23Updated 5 years ago
Related projects ⓘ
Alternatives and complementary repositories for Quantum-Espresso-Tutorial-2019-Slides
- ☆29Updated 4 years ago
- A collection of examples for running different types of VASP calculations.☆28Updated 8 years ago
- ☆45Updated last year
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆49Updated 2 weeks ago
- Modeling and Crystallographic Utilities☆45Updated last year
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆29Updated 7 months ago
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆26Updated 4 years ago
- quick analysis of vasp calculation☆35Updated 5 months ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆39Updated last year
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Updated 2 years ago
- Python package to analyse electron density & electrostatic potential grids☆85Updated 10 months ago
- In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …☆25Updated last year
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆51Updated 2 years ago
- KPROJ: A Band Unfolding Program☆35Updated 4 months ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆62Updated 7 months ago
- ☆25Updated 2 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆25Updated 9 years ago
- Quantum Visualization Interacting Toolkit for Ab-initio Simulations☆66Updated 3 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆25Updated 8 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆69Updated 4 years ago
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆27Updated 8 years ago
- Export Eigenvectors from Phonopy format to VESTA☆35Updated last month
- Implementation for computing nonradiative recombination rates in semiconductors☆41Updated last month
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆43Updated last week
- Spin Texture contains a C++-code as well as gnuplot scripts for generating and plotting spin textures☆20Updated 2 years ago
- A collection of crystal structures from first-principles simulations☆25Updated 4 years ago
- A repository hosting materials used during Wannier-related tutorials and schools☆39Updated 5 months ago
- Tutorials for Quantum Espresso☆17Updated 2 years ago