shreeja7 / vasp-lammps-installation-tips
Installation steps for various programs like VASP, LAMMPS, Quantum Espresso, Siesta in parallel
☆14Updated 4 years ago
Alternatives and similar repositories for vasp-lammps-installation-tips:
Users that are interested in vasp-lammps-installation-tips are comparing it to the libraries listed below
- Construct phonon tight-binding model and calculate its topological properties☆26Updated 5 years ago
- Interfacial Phonon code☆26Updated 2 years ago
- create wavefunction file from selected spin, kpoint and band index in VASP wavecar☆14Updated 3 years ago
- Python program for analyzing the output files of phonopy.☆13Updated 3 years ago
- DFT post processing tools☆24Updated 9 months ago
- Calculate 3rd order elastic constant.☆13Updated last month
- Builds 2D heterostructures via coincidence lattice theory.☆14Updated last year
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆23Updated 4 years ago
- DensityTool post-processing program for VASP☆30Updated last year
- Tools for Phono(3)py power users.☆33Updated last year
- python workflow for GW-BSE calculation☆28Updated last year
- BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA☆19Updated 4 years ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 3 years ago
- Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory☆21Updated 4 years ago
- Python version ofthe BandUP code☆23Updated 6 months ago
- Use 3D visualization software Mayavi to visualize VASP POSCAR file.☆30Updated last year
- TDEP Tutorials☆29Updated 3 weeks ago
- quick analysis of vasp calculation☆35Updated 11 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated last year
- Interfacial heat conductance☆12Updated 8 months ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆29Updated last month
- Converts the VASP WAVECAR to UNK files for wannier90.☆23Updated 4 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆27Updated 5 months ago
- ☆20Updated 5 years ago
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆28Updated 6 months ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆21Updated 3 years ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆17Updated 4 years ago
- Unfolding the band structure of a supercell obtained with VASP☆25Updated 2 years ago
- ☆28Updated 2 years ago
- Automatic search for the most stable magnetic state of a given structure☆22Updated last year