qzhu2017 / RDFLinks
A code to compute the radial distribution function
☆21Updated 6 years ago
Alternatives and similar repositories for RDF
Users that are interested in RDF are comparing it to the libraries listed below
Sorting:
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 5 years ago
- quick analysis of vasp calculation☆38Updated last year
- Automatic search for the most stable magnetic state of a given structure☆24Updated 2 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 9 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- ☆44Updated 7 years ago
- Some ongoing projects in Zhu's group☆28Updated last year
- ☆27Updated 9 months ago
- Tools for Phono(3)py power users.☆34Updated 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 7 years ago
- Interfacial Phonon code☆28Updated 3 years ago
- ☆19Updated 6 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆55Updated last year
- Visualize vibrational modes from VASP calculations☆43Updated 8 months ago
- ☆22Updated 2 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 3 years ago
- Utility for applying the distortion symmetry method.☆28Updated last year
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆41Updated last year
- Occupation matrix control modification VASP☆50Updated 6 years ago
- ☆39Updated last year
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- Site-Occupation Disorder☆44Updated 6 months ago
- cif2cell compatible with Python 3+☆12Updated 3 years ago
- A open source program for materials simulation data process, which is mainly based on Pymatgen code☆22Updated 5 years ago
- ☆36Updated 5 years ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆30Updated 3 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- ☆52Updated 11 months ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆35Updated last week