vaspkit / 1st_VASPKIT_CUPLinks
Source codes of the 1st VASPKIT-PAPATERA CUP Awards
☆26Updated 6 years ago
Alternatives and similar repositories for 1st_VASPKIT_CUP
Users that are interested in 1st_VASPKIT_CUP are comparing it to the libraries listed below
Sorting:
- ☆19Updated 6 years ago
- DFT post processing tools☆26Updated last year
- quick analysis of vasp calculation☆38Updated last year
- some toolkits for VASP☆32Updated 4 years ago
- A code for generating irreducible site-occupancy configurations☆51Updated last year
- Occupation matrix control modification VASP☆51Updated 6 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆42Updated last year
- ☆41Updated last year
- VASP Convergence Testing (for Energy & Dielectric Constants)☆56Updated this week
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆26Updated 5 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 3 years ago
- vasp calculation flow☆22Updated 2 years ago
- Automatic search for the most stable magnetic state of a given structure☆24Updated 2 years ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆24Updated last month
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆32Updated 11 months ago
- 机器学习预测表面物种性质 Predict property on surface using machine learning with SOAP encode☆18Updated 6 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- ☆36Updated 6 years ago
- Tools for Phono(3)py power users.☆34Updated 2 years ago
- Export Eigenvectors from Phonopy format to VESTA☆49Updated 10 months ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆29Updated 4 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆32Updated last month
- Visualize vibrational modes from VASP calculations☆43Updated 9 months ago
- KPROJ: A Band Unfolding Program☆47Updated 9 months ago
- ☆24Updated last month
- Tutorials on atomic simulations related to my research☆31Updated 3 years ago
- Some useful vasp scripts and tools☆22Updated 5 years ago