keeeto / Vasp-PV
A shell script for calculating many interesting materials' parameters for photovoltaic applications, includng Band gap, polarisation
☆22Updated 9 years ago
Alternatives and similar repositories for Vasp-PV:
Users that are interested in Vasp-PV are comparing it to the libraries listed below
- A software to calculate thermal conductivity quickly and accurately☆34Updated 5 years ago
- AICON2: A program for calculating transport properties quickly and accurately☆15Updated last year
- quick analysis of vasp calculation☆35Updated 9 months ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆20Updated 4 years ago
- Builds 2D heterostructures via coincidence lattice theory.☆14Updated last year
- TDEP Tutorials☆26Updated 3 months ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- Toolkit using the Atomistic Simulation Environment (ASE)☆19Updated 4 years ago
- ☆16Updated 5 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆25Updated 9 years ago
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆13Updated last year
- ☆25Updated 3 months ago
- Tools for Phono(3)py power users.☆32Updated last year
- A collection of command line utilities for manipulating VASP input / outpu☆25Updated 3 years ago
- ☆20Updated last year
- A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…☆16Updated 7 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 10 months ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 3 years ago
- Interfacial Phonon code☆26Updated 2 years ago
- Unfolding the band structure of a supercell obtained with VASP☆24Updated 2 years ago
- python workflow for GW-BSE calculation☆27Updated last year
- A module for ASE for elastic constants calculation.☆41Updated 2 months ago
- Automatic search for the most stable magnetic state of a given structure☆22Updated last year
- Gaussian and Lorentzian smearing of simulated spectra☆38Updated 5 months ago
- Docs and examples for Quantum-Espresso☆16Updated 7 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆46Updated 5 months ago
- Crsytal simulation tools☆10Updated 3 weeks ago
- Non-equilibrium green's function method☆16Updated 9 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆33Updated 2 years ago