mcsorkun / V2DBLinks
V2DB (Virtual 2D Materials Database): the code for generating and predicting the novel 2D materials by virtual screening.
☆23Updated 5 years ago
Alternatives and similar repositories for V2DB
Users that are interested in V2DB are comparing it to the libraries listed below
Sorting:
- ☆18Updated 5 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆49Updated last month
- Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.☆82Updated 7 months ago
- Effective Mass Calculator for Semiconductors☆110Updated 5 years ago
- Band structure unfolding made easy!☆58Updated last week
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 7 months ago
- Defect structure-searching employing chemically-guided bond distortions☆110Updated 2 weeks ago
- A computational framework to automate point defect calculations☆38Updated 7 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆55Updated last month
- Modeling and Crystallographic Utilities☆51Updated 2 years ago
- Electronic transport properties from first-principles calculations☆157Updated this week
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Export Eigenvectors from Phonopy format to VESTA☆50Updated 11 months ago
- Microkinetic models for electrochemical CO stripping and hydrogen oxidation☆15Updated 5 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆47Updated last year
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 10 years ago
- ☆61Updated 3 years ago
- 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，…☆68Updated 4 years ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆64Updated 3 weeks ago
- Band unfolding for phonons☆58Updated last year
- Script to generate distorted perovskite structures☆12Updated last year
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆71Updated last month
- ☆27Updated 11 months ago
- A Python suite for manipulating VASP input and output☆48Updated last month
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆75Updated 4 months ago
- Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP☆34Updated last year
- A collection of scripts to interpret/organize VASP output files☆24Updated 9 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
- Dealing with slabs for first principles calculations of surfaces☆65Updated 2 years ago
- Automatic search for the most stable magnetic state of a given structure☆25Updated 2 years ago