hungpham2017 / mcuLinks
Modeling and Crystallographic Utilities
☆50Updated 2 years ago
Alternatives and similar repositories for mcu
Users that are interested in mcu are comparing it to the libraries listed below
Sorting:
- A collection of examples for running different types of VASP calculations.☆31Updated 8 years ago
- quick analysis of vasp calculation☆38Updated last year
- Converts the VASP WAVECAR to UNK files for wannier90.☆23Updated 5 years ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆71Updated 2 months ago
- DensityTool post-processing program for VASP☆31Updated last year
- Band unfolding for phonons☆57Updated 11 months ago
- Occupation matrix control modification VASP☆50Updated 6 years ago
- python workflow for GW-BSE calculation☆30Updated 2 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- ☆31Updated 4 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆33Updated last year
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆81Updated 4 months ago
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆59Updated 3 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 9 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆32Updated 10 months ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆34Updated 2 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆49Updated this week
- ☆70Updated 2 weeks ago
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- TDEP Tutorials☆32Updated 4 months ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆55Updated last year
- Symmetry analysis and symmetrize in Wannier orbitals☆43Updated last year
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆40Updated last year
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆33Updated 3 years ago
- A Wannier90 python interface for VASP and PySCF☆40Updated last year
- a python package for computing magnetic interaction parameters☆84Updated 3 weeks ago
- Dealing with slabs for first principles calculations of surfaces☆65Updated 2 years ago
- Band structure unfolding made easy!☆56Updated last month
- Tools for Phono(3)py power users.☆34Updated last year
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆67Updated 2 months ago