pipidog / ONCVPSP
Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
☆81Updated 5 years ago
Alternatives and similar repositories for ONCVPSP:
Users that are interested in ONCVPSP are comparing it to the libraries listed below
- IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…☆115Updated 2 years ago
- An updated version of the VASP2WANNIER90v2 interface☆92Updated last year
- A library of ultrasoft and PAW pseudopotentials☆80Updated 2 years ago
- ☆53Updated last year
- The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).☆61Updated 5 months ago
- ☆65Updated 3 weeks ago
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆79Updated last year
- A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures☆133Updated last month
- Tight-binding parameter fitting package (TBFIT) for Slater-Koster method☆30Updated 2 years ago
- The UppASD package is a simulation tool for atomistic spin dynamics and Monte Carlo simulations of Heisenberg spin systems.☆89Updated last week
- KPROJ: A Band Unfolding Program☆40Updated 3 months ago
- Phonon anharmonicity analysis from molecular dynamics☆124Updated 6 months ago
- BandUP: Band Unfolding code for Plane-wave based calculations☆100Updated 4 years ago
- Band unfolding for phonons☆54Updated 6 months ago
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆69Updated 8 months ago
- Occupation matrix control modification VASP☆46Updated 5 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆48Updated 7 months ago
- a python package for computing magnetic interaction parameters☆79Updated last week
- A repository hosting materials used during Wannier-related tutorials and schools☆41Updated 11 months ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆43Updated last year
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages☆57Updated 3 years ago
- The Temperature Dependent Effective Potentials (TDEP) code☆80Updated last week
- A Wannier90 python interface for VASP and PySCF☆38Updated last year
- BerkeleyGW python☆31Updated 3 years ago
- Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.☆132Updated 3 weeks ago
- Python code for twisting the 2D materials.☆29Updated 2 years ago
- VASP subtool to draw Fermi-Surface; creates input file for Xcrysden☆37Updated 2 years ago
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆77Updated last month
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated last year
- DensityTool post-processing program for VASP☆30Updated last year