QuantumMaterialsModelling / vasp-phonopy-sschaLinks
☆12Updated 2 years ago
Alternatives and similar repositories for vasp-phonopy-sscha
Users that are interested in vasp-phonopy-sscha are comparing it to the libraries listed below
Sorting:
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆13Updated 3 years ago
- Tools for Phono(3)py power users.☆33Updated last year
- STM-2DScan.py is a postprocessing script for VASP code to generate STM images based on DFT-calculations. It firstly imports volumetric d…☆13Updated 5 years ago
- Automatic search for the most stable magnetic state of a given structure☆24Updated last year
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆43Updated last year
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 2 years ago
- Vizualisation of Atomic Contributions to Phonon Modes☆13Updated 8 months ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆25Updated 4 years ago
- Interfacial Phonon code☆27Updated 2 years ago
- A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…☆23Updated 2 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆38Updated 4 months ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆29Updated 8 months ago
- TDEP Tutorials☆30Updated last month
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆28Updated last month
- Visualize vibrational modes from VASP calculations☆41Updated 5 months ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- ☆19Updated 6 months ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 2 years ago
- 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
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- quick analysis of vasp calculation☆36Updated last year
- ☆23Updated last year
- ☆26Updated 6 months ago
- Gaussian and Lorentzian smearing of simulated spectra☆40Updated 9 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated last year
- 机器学习预测表面物种性质 Predict property on surface using machine learning with SOAP encode☆18Updated 6 years ago
- Dealing with slabs for first principles calculations of surfaces☆64Updated 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 …☆20Updated 2 months ago
- Utility for applying the distortion symmetry method.☆28Updated last year