quantumNerd / vasp_tutorialLinks
☆31Updated 5 years ago
Alternatives and similar repositories for vasp_tutorial
Users that are interested in vasp_tutorial are comparing it to the libraries listed below
Sorting:
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆29Updated 4 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆37Updated 4 years ago
- quick analysis of vasp calculation☆38Updated last year
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- A Python suite for manipulating VASP input and output☆48Updated 2 months ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆28Updated last year
- Occupation matrix control modification VASP☆53Updated 6 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆33Updated last year
- Automatic search for the most stable magnetic state of a given structure☆25Updated 2 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆55Updated 2 months ago
- cif2cell compatible with Python 3+☆12Updated 3 years ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆44Updated 2 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- GPUMD and LAMMPS helper functions for thermal computations☆26Updated 3 years ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆90Updated 5 years ago
- Site-Occupation Disorder☆47Updated 9 months ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆48Updated 2 weeks ago
- Source codes of the 1st VASPKIT-PAPATERA CUP Awards☆27Updated 6 years ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆20Updated 5 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆49Updated 2 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 8 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- LAMMPS interface for phonon calculations using phonopy☆90Updated 2 months ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆74Updated 2 months ago
- Public repository for the MATLAB code to compute band structures and other properties of twisted multilayer TMDs☆13Updated last year
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Updated 5 years ago
- ☆19Updated 6 years ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated 2 years ago