zjwang11 / IRVSPLinks
IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10.1016/j.cpc.2020.107760.
☆116Updated 2 years ago
Alternatives and similar repositories for IRVSP
Users that are interested in IRVSP are comparing it to the libraries listed below
Sorting:
- An updated version of the VASP2WANNIER90v2 interface☆95Updated last year
- ☆67Updated this week
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆81Updated 3 months ago
- ☆54Updated last year
- KPROJ: A Band Unfolding Program☆45Updated 5 months ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆70Updated 10 months ago
- A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization☆40Updated 10 months ago
- Occupation matrix control modification VASP☆49Updated 5 years ago
- band plot using python matplotlib☆165Updated 8 months ago
- Export Eigenvectors from Phonopy format to VESTA☆43Updated 6 months ago
- Effective Mass Calculator for Semiconductors☆107Updated 4 years ago
- Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format☆82Updated 5 years ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆100Updated 4 years ago
- ab-initio nonadiabatic molecular dynamics program☆107Updated last year
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆80Updated last month
- In analogy with thirdorder.py in ShengBTE, Fourthorder.py is developed to calculate fourth-order interatomic force-constants (4th-IFCs). …☆26Updated last year
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Concentric Approximation - Non-adiabatic Coupling☆24Updated 4 months ago
- Fix lattice component(s) during relaxation in VASP☆121Updated 3 years ago
- Tight-binding parameter fitting package (TBFIT) for Slater-Koster method☆30Updated 2 years ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆65Updated this week
- Spin Texture contains a C++-code as well as gnuplot scripts for generating and plotting spin textures☆21Updated 3 years ago
- Python code for twisting the 2D materials.☆30Updated 2 years ago
- a python package for computing magnetic interaction parameters☆80Updated last week
- Phonon anharmonicity analysis from molecular dynamics☆129Updated 8 months ago
- Electronic transport properties from first-principles calculations☆152Updated last week
- Band unfolding for phonons☆54Updated 8 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated last year
- to compute kp parameters and Lande g-factors directly from the VASP wavefunctions. Ref: Zhang et al., Chin. Phys. Lett. 40, 127101 (2023…☆25Updated last month
- A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.☆34Updated 3 years ago