density-of-states

There are 25 repositories under density-of-states topic.

  • joselado/pyqula

    Python library to compute properties of quantum tight binding models, including topological, electronic and magnetic properties and including the effect of many-body interactions.

    Language:Python835929

  • JuDFTteam/masci-tools

    Post-processing toolkit for electronic structure calculations

    Language:Python1775110

  • RemiHelleboid/UltimateEPM

    Band Structure and Density of States computation of the Brillouin Zone.

    Language:C++14204

  • osscar-org/widget-bandsplot

    A Jupyter widget to plot bandstructure and density of states.

    Language:Jupyter Notebook133364

  • cmdlab/Hetero2d

    Automate the discovery of stable 2D materials stacked on substrates (either another 2d or substrate surface)! Compute the properties of the interacting system!

    Language:Python11112

  • guanjihuan/py.guanjihuan.com

    Language:Python11402

  • harrisonlabollita/w2kplot

    Matplotlib wrapper for WIEN2k post-processing

    Language:Python101112

  • jenskunstmann/vasp-tools

    Matlab tools to visualize and process the output of a VASP calculation.

    Language:MATLAB7102

  • mukkelian/VASP-DOS-plots

    This code is to plot the projected density of states (Spin pol. + SO) from the VASP output file. It requires only POSCAR, DOSCAR files.

    Language:Fortran7101

  • mukkelian/DOS-integration

    This code can be used to integrate the Density of states (DOS) by simply using Simpson's rule for integration

    Language:Fortran6102

  • ChangChunHe/draw_band_dos

    A simple script to draw band structure and DOS diagram

    Language:MATLAB4101

  • DanielYang59/cnn4dos

    MPhil Project at QUT: Convolutional Neural Networks and Volcano Plots: Screening and Prediction of Two-Dimensional Single-Atom Catalysts

    Language:TeX33100

  • EgorcaA/qe_helper

    Tool to help you analyze and visualize the results from Quantum Espresso (Band structure BS, DOS, pDOS)

    Language:Jupyter Notebook2100

  • madvid/PhD_influence_HCN_V_defect_solubility_diffusion_O_in_Ni

    Part of my work realized during the years as a PhD student. I was in the team MEMO of the CIRIMAT lab in Toulouse. I study via a multi-scale approach the influence influence of H, C, N impurities and point defects on the solubility and diffusion of the oxygen in the nickel (fcc phase). My works was under the supervision of Damien Connétable and Daniel Monceau.

    2100

  • DuarteME/TL-Fitter

    Interactive fitting routine for thermoluminescence glow curves (either discrete or continuous density of states)

    Language:Python110

  • eugnsp/vasp_ldos

    Depth-resolved density of states plot for VASP

    Language:C++1303

  • jarvist/Teclo.jl

    Tight Binding calculation of the Density of States of disordered materials

    Language:Jupyter Notebook1301

  • MolSimGroup/velocity

    velocity.py reads in GROMACS trr trajectory (that inclides velocity information) and calculates center of mass translational velocity and angular velocity. It also computes translational and rotational kinetic energies, temperatures, velocity autocorrelation functions and power spectra

    Language:Python1100

  • cennanaradipa/VASP

    Post-processing scripts for VASP output files, with focus on gnuplot formats

    Language:Python0000

  • chinchay/GreenPy

    Decimation of the Green function in graphene nanoribbons

    Language:Python0100

  • Enry99/plvasp

    Small tool to plot dos, bandstructure and dos+bandstructure with python's matplotlib, using the files generated by vaspkit

    Language:Python0101

  • gmguarino/IonicLiquidFET

    Calculations of 2DEG accumulation STO ionic liquid gate electric double layer transistors from Masters thesis

    Language:MATLAB0100

  • piskunow/fermi-contours

    Fermi Contours

    Language:Python0100

  • prathamn007/quantum-espresso-projects

    A collection of all my personal Quantum Espresso projects

    Language:PostScript0100

  • jkglasbrenner/electronic-structure-visualization-demo

    Demonstration of a simple data visualization dashboard for electronic structure data in a Jupyter notebook.

    Language:Python101