WatsonGroupTCD / Occupation-matrix-control-in-VASPLinks
Occupation matrix control modification VASP
☆50Updated 6 years ago
Alternatives and similar repositories for Occupation-matrix-control-in-VASP
Users that are interested in Occupation-matrix-control-in-VASP are comparing it to the libraries listed below
Sorting:
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- quick analysis of vasp calculation☆38Updated last year
- ☆40Updated last year
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Visualize vibrational modes from VASP calculations☆43Updated 9 months ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆81Updated 5 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 5 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆25Updated 5 years ago
- Site-Occupation Disorder☆45Updated 6 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- Band unfolding for phonons☆57Updated last year
- DFT post processing tools☆26Updated last year
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆44Updated 2 weeks ago
- Dealing with slabs for first principles calculations of surfaces☆65Updated 2 years ago
- ☆36Updated 6 years ago
- A collection of examples for running different types of VASP calculations.☆31Updated 8 years ago
- Automatic search for the most stable magnetic state of a given structure☆24Updated 2 years ago
- Interfacial Phonon code☆28Updated 3 years ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆63Updated 2 months ago
- Tools for Phono(3)py power users.☆34Updated 2 years ago
- LAMMPS interface for phonon calculations using phonopy☆88Updated last year
- Implementation for computing nonradiative recombination rates in semiconductors☆50Updated last week
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆34Updated 2 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆32Updated 11 months ago
- ☆57Updated 3 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆56Updated last year
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆28Updated 4 years ago
- Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations☆30Updated 3 years ago
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆67Updated last week
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆36Updated 3 years ago