keeeto / Vasp-PVLinks
A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation
☆23Updated 10 years ago
Alternatives and similar repositories for Vasp-PV
Users that are interested in Vasp-PV are comparing it to the libraries listed below
Sorting:
- A software to calculate thermal conductivity quickly and accurately☆35Updated 5 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- quick analysis of vasp calculation☆38Updated last year
- TDEP Tutorials☆34Updated 8 months ago
- Implementation for computing nonradiative recombination rates in semiconductors☆49Updated 3 months ago
- BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA☆18Updated 4 years ago
- AICON2: A program for calculating transport properties quickly and accurately☆15Updated 2 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆17Updated 8 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 9 months ago
- ☆27Updated last year
- DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …☆22Updated 9 months ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆24Updated last month
- Compressive sensing lattice dynamics☆32Updated 11 months ago
- Automatic search for the most stable magnetic state of a given structure☆25Updated 2 years ago
- Euphonic is a Python package for efficient simulation of phonon bandstructures, density of states and inelastic neutron scattering intens…☆40Updated last week
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Updated 5 years ago
- Site-Occupation Disorder☆49Updated 10 months ago
- Gaussian and Lorentzian smearing of simulated spectra☆44Updated last year
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆33Updated last year
- Interfacial Phonon code☆28Updated 3 years ago
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- ☆22Updated 2 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆28Updated last year
- This is a GPU optimized version of ShengBTE.☆19Updated last year
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆28Updated 6 years ago
- Script to generate distorted perovskite structures☆13Updated 2 years ago
- ☆36Updated 6 years ago