aradi / SCPC-MethodLinks
☆27Updated 10 months ago
Alternatives and similar repositories for SCPC-Method
Users that are interested in SCPC-Method are comparing it to the libraries listed below
Sorting:
- Tools for Phono(3)py power users.☆34Updated 2 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- quick analysis of vasp calculation☆38Updated last year
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 3 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆25Updated 5 years ago
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆26Updated last year
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- Automatic search for the most stable magnetic state of a given structure☆24Updated 2 years ago
- py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…☆29Updated 4 months ago
- A lightweight python package for reading and writing VASP ML_AB files☆40Updated 8 months ago
- Gaussian and Lorentzian smearing of simulated spectra☆42Updated last year
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆27Updated 2 years ago
- Dealing with slabs for first principles calculations of surfaces☆65Updated 2 years ago
- Band structure unfolding made easy!☆57Updated last week
- TDEP Tutorials☆32Updated 4 months ago
- Python scripts to postprocess Quantum Espresso calclations.☆19Updated 5 years ago
- Visualize vibrational modes from VASP calculations☆43Updated 9 months ago
- ☆21Updated 10 months ago
- ☆12Updated 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…☆25Updated 2 years ago
- Interfacial Phonon code☆28Updated 3 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆56Updated last year
- A for finding optimized SQS structures tool written in C++☆51Updated 3 weeks ago
- Compressive sensing lattice dynamics☆31Updated 8 months ago
- Practical guide on how to use VASP☆23Updated 5 years ago
- Site-Occupation Disorder☆45Updated 6 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆20Updated 6 years ago
- ☆22Updated 2 years ago