Linqiaosong / Fermi-Softness-for-VASPLinks
A script for calculating Fermi-Softness.
☆13Updated 3 years ago
Alternatives and similar repositories for Fermi-Softness-for-VASP
Users that are interested in Fermi-Softness-for-VASP are comparing it to the libraries listed below
Sorting:
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆17Updated 3 years ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Updated last year
- 高通量建立vasp模型和批量分析模型性质(High throughput VASP model and batch analysis model properties)☆13Updated 4 years ago
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆20Updated last year
- Some useful vasp scripts and tools☆22Updated 6 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆21Updated 4 years ago
- Automation of VASP DFT workflows with ASE - application scripts☆13Updated 2 years ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Updated 11 months ago
- ☆12Updated 5 years ago
- Python program for analyzing the output files of phonopy.☆14Updated 4 years ago
- First-principles calculated elastic and mechanical properties of 2D materials and their heterostructures☆16Updated last year
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Updated 3 weeks ago
- Tutorials of codes such as VASP, Quantum Espresso and Lammps☆14Updated 3 months ago
- BiCrystal is a Python 3 program that builds incommensurate unit cells of bilayer materials.☆13Updated 2 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆20Updated 5 years ago
- Quick tools for materials chemistry☆19Updated last year
- cif2cell compatible with Python 3+☆12Updated 3 years ago
- ☆24Updated 2 months ago
- This program calculates the main correlation functions of a material: Radial Distribution Function (J(r)), Pair Distribution Function (g(…☆20Updated 2 weeks ago
- ☆36Updated 6 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 3 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Updated 5 years ago
- Calculate 3rd order elastic constant.☆13Updated 8 months ago
- SLABCC: Total energy correction code for charged periodic slab models. Project is currently maintained at https://codeberg.org/meisam/sla…☆17Updated 10 months ago
- Python library for computing electron-phonon renormalizations from finite displacements☆11Updated 11 months ago
- BoltzGnu Contains Gnuplot Scripts which allow to plot BoltzTraP Output Data☆17Updated 5 years ago
- extract third order force constants from TDEP output☆10Updated 5 years ago
- Electro-Chemical Optimizer☆12Updated 8 months ago