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:
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆60Updated 6 years ago
- ☆26Updated 2 years ago
- ☆53Updated 2 years ago
- This API_Phonons is a set of python scripts and functions for interfacing different packages for phonon modeling.☆30Updated last month
- ☆49Updated last month
- DENSITY FUNCTIONAL THEORY EXERCISES. 本习题解答针对 DAVID S. SHOLL 的 Density functional theory: a practical introduction[1]一书。理论依据为密度泛函(DFT)理论，…☆61Updated 3 years ago
- A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers☆29Updated 3 years ago
- Inverse Design of Materials by Multi-objective Differential Evolution☆47Updated 5 years ago
- Tools for Phono(3)py power users.☆33Updated last year
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆24Updated 4 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 2 years ago
- 新生入学培训资料☆19Updated 2 years ago
- ab-initio nonadiabatic molecular dynamics program☆106Updated last year
- ☆41Updated 6 years ago
- ☆42Updated 7 months ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆58Updated last week
- Dealing with slabs for first principles calculations of surfaces☆63Updated last year
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 9 years ago
- A VASP calculation monitor. Written in Rust☆28Updated 5 months ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆54Updated last year
- Visualize vibrational modes from VASP calculations☆41Updated 4 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆32Updated last year
- quick analysis of vasp calculation☆35Updated last year
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 2 years ago
- A Python suite for manipulating VASP input and output☆46Updated 11 months ago
- LAMMPS interface for phonon calculations using phonopy☆87Updated 9 months ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆65Updated last year
- 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
- Some examples of using pymatgen code☆22Updated 8 months ago
- Defect structure-searching employing chemically-guided bond distortions☆93Updated last month