bitsoal / VASP_HTC_frameworkLinks
High-throughput calculation framework for VASP
☆24Updated 5 months ago
Alternatives and similar repositories for VASP_HTC_framework
Users that are interested in VASP_HTC_framework are comparing it to the libraries listed below
Sorting:
- ☆49Updated 2 months ago
- ☆27Updated 2 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆60Updated 6 years ago
- Dealing with slabs for first principles calculations of surfaces☆63Updated last year
- Occupation matrix control modification VASP☆49Updated 5 years ago
- ☆54Updated 2 years ago
- ☆41Updated 6 years ago
- A lite tool for monitoring convergence in VASP relaxation☆16Updated 11 months ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆66Updated last year
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆29Updated 2 months ago
- CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…☆55Updated 5 years ago
- Visualize vibrational modes from VASP calculations☆41Updated 5 months ago
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated last month
- ☆44Updated 8 months ago
- Tools for Phono(3)py power users.☆33Updated last year
- 新生入学培训资料☆19Updated 2 years ago
- ASE interface for fully constant potential with VASP☆34Updated 8 months ago
- LAMMPS interface for phonon calculations using phonopy☆87Updated 9 months ago
- A Python suite for manipulating VASP input and output☆46Updated last year
- A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP☆29Updated 7 months ago
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆29Updated 3 years ago
- A python class for parsing VASP XDATCAR from molecular dynamics☆24Updated 9 months ago
- A code for generating irreducible site-occupancy configurations☆49Updated last year
- ☆39Updated last year
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 9 years ago
- Site-Occupation Disorder☆41Updated 2 months ago
- A VASP calculation monitor. Written in Rust☆28Updated 6 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated last year
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆30Updated 6 months ago