chuanxun / StructurePrototypeAnalysisPackage
Structure Prototype Analysis Package can analyze symmetry and compare similarity of a large number of atomic structures.
☆23Updated 2 years ago
Alternatives and similar repositories for StructurePrototypeAnalysisPackage:
Users that are interested in StructurePrototypeAnalysisPackage are comparing it to the libraries listed below
- quick analysis of vasp calculation☆35Updated 7 months ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- Occupation matrix control modification VASP☆44Updated 5 years ago
- Automatic search for the most stable magnetic state of a given structure☆21Updated last year
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆24Updated 2 months ago
- Some useful vasp scripts and tools☆22Updated 5 years ago
- Interfacial Phonon code☆25Updated 2 years ago
- ☆22Updated last month
- ☆24Updated last year
- Tools for Phono(3)py power users.☆31Updated last year
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆28Updated last year
- DFT post processing tools☆23Updated 6 months ago
- ☆18Updated 5 years ago
- Band structure unfolding made easy!☆45Updated 2 weeks ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆31Updated 9 months ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆41Updated 8 months ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆31Updated 2 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆51Updated 9 months ago
- Some ongoing projects in Zhu's group☆27Updated 9 months ago
- A lightweight python package for reading and writing VASP ML_AB files☆34Updated last year
- A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.☆23Updated 9 months ago
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆19Updated 5 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- ☆36Updated 5 years ago
- Dealing with slabs for first principles calculations of surfaces☆59Updated last year
- Unfolding the band structure of a supercell obtained with VASP☆24Updated 2 years ago
- Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…☆17Updated 2 years ago
- ☆37Updated 11 months ago
- ☆10Updated last year
- Visualize vibrational modes from VASP calculations☆37Updated last week