shreeja7 / vasp-lammps-installation-tips
Installation steps for various programs like VASP, LAMMPS, Quantum Espresso, Siesta in parallel
☆14Updated 4 years ago
Related projects ⓘ
Alternatives and complementary repositories for vasp-lammps-installation-tips
- Calculate 3rd order elastic constant.☆13Updated 3 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- Construct phonon tight-binding model and calculate its topological properties☆24Updated 5 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆26Updated 3 years ago
- python workflow for GW-BSE calculation☆25Updated last year
- create wavefunction file from selected spin, kpoint and band index in VASP wavecar☆14Updated 2 years ago
- Interfacial Phonon code☆25Updated 2 years ago
- some toolkits for VASP☆27Updated 3 years ago
- Builds 2D heterostructures via coincidence lattice theory.☆12Updated last year
- Python version ofthe BandUP code☆20Updated last month
- DensityTool post-processing program for VASP☆28Updated 11 months ago
- DFT post processing tools☆23Updated 3 months ago
- Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry☆20Updated 2 years ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆29Updated 7 months ago
- TDEP Tutorials☆20Updated last year
- Python program for analyzing the output files of phonopy.☆13Updated 3 years ago
- Tools for Phono(3)py power users.☆30Updated last year
- ☆21Updated 2 years ago
- VASP - Localized Orbital Locator + Electron Localizability Indicator☆15Updated last year
- BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA☆19Updated 3 years ago
- Python scripts to postprocess Quantum Espresso calclations.☆18Updated 4 years ago
- Unfolding the band structure of a supercell obtained with VASP☆24Updated last year
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆19Updated 4 years ago
- A play ground for PythTb, Kwant, Pybinding and Wannier90 👾, and MORE☆12Updated 5 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆23Updated last week
- ☆25Updated 2 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆25Updated 8 months ago
- quick analysis of vasp calculation☆35Updated 5 months ago
- ☆18Updated 5 years ago
- Converts the VASP WAVECAR to UNK files for wannier90.☆22Updated 4 years ago