RobinLi-95 / CP2K_toolsLinks
Codes for preparing/postprocessing CP2K input/output files
☆9Updated 3 years ago
Alternatives and similar repositories for CP2K_tools
Users that are interested in CP2K_tools are comparing it to the libraries listed below
Sorting:
- Generate isosurface from density data☆13Updated 2 months ago
- Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction☆15Updated last year
- Python library for computing electron-phonon renormalizations from finite displacements☆11Updated 7 months ago
- Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…☆16Updated 2 weeks ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆17Updated 2 years ago
- Tutorial files for alamode☆13Updated 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
- ☆19Updated 7 months ago
- The FPTE package is a collection of tools for finite pressure temperature elastic constants calculation. Features include, but are not l…☆17Updated 6 months ago
- Visualizations☆14Updated 3 years ago
- Software to calculate magnetostriction coefficients and magnetoelastic constants☆15Updated 2 years ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 3 years ago
- QXMD: Non-adiabatic Quantum Molecular Dynamics Simulation Engine☆14Updated last year
- SLABCC: Total energy correction code for charged periodic slab models. Project is currently maintained at https://codeberg.org/meisam/sla…☆17Updated 6 months ago
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆14Updated last week
- A python project for quasi-harmonic properties calculations☆9Updated 7 years ago
- Automated DFT Input File Generator using wxDragon☆14Updated last year
- SPMS table of pseudopotentials☆19Updated 2 years ago
- Electro-Chemical Optimizer☆12Updated 4 months ago
- Embedding module for VASP and tools for its use.☆9Updated 5 months ago
- A script to generate VASP input files including INCAR, KPOINTS, POTCAR and vasp_job.sh script.☆9Updated 5 years ago
- Projected Electronic Bands in Quantum Espresso☆14Updated last month
- A general parser for VASP☆13Updated last week
- Python program for analyzing the output files of phonopy.☆14Updated 3 years ago
- Useful tools integrated for VASP/Wannier90 interface☆12Updated 2 years ago
- Corrections for formation energy and eigenvalues for charged defect simulations☆13Updated 2 years ago
- Python Processing Tool for Vasp Ipnut/Output☆13Updated 2 years ago
- A script for calculating Fermi-Softness.☆13Updated 3 years ago
- PyDEF 2.0 is a scientific program. It is a post-treatment software for ab-initio calculations performed with the Vienna Ab-Initio Simulat…☆16Updated 6 years ago
- Collective atomic modulation analysis with irreducible space-group representation☆17Updated this week