density-of-states

There are 1 repository 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.
tight-binding topology interactions mean-field-theory electronic-structure magnetism superconductivity fermi-surface non-collinear-magnetism density-of-states spectral-functions topological-insulator symmetry-breaking quantum-transport spin-textures moire-pattern disorder heavy-fermions
Language:Python 72
JuDFTteam / masci-tools
Post-processing toolkit for electronic structure calculations
electronic-structure materials-informatics visualization parsing utility band-structure computational-materials-science density-functional-theory density-of-states forschungszentrum-juelich high-throughput judft toolkit
Language:Python 17
RemiHelleboid / UltimateEPM
Band Structure and Density of States computation of the Brillouin Zone.
band-structure brillouin-zone density-of-states full-band electronics solid-state-physics empirical-pseudopotentials epm mpi openmp dielectric-function permittivity
Language:C++ 12
guanjihuan / py.guanjihuan.com
condensed-matter-physics quantum-transport density-of-states green-functions tight-binding
Language:Python 11
osscar-org / widget-bandsplot
A Jupyter widget to plot bandstructure and density of states.
juptyer-widget bandstructure solid-state-physics density-of-states aiida aiidalab
Language:Jupyter Notebook 11
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!
2d-materials automation charge-transfer density-of-states dft-calculations heterostructure
Language:Python 10
harrisonlabollita / w2kplot
Matplotlib wrapper for WIEN2k post-processing
band-structure density-functional-theory electronic-structure python wien2k density-of-states plotting matplotlib
Language:Python 9
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.
vasp dos density-of-states plotting plot dos-plot
Language:Fortran 7
jenskunstmann / vasp-tools
Matlab tools to visualize and process the output of a VASP calculation.
vasp matlab plotting processing bandstructure density-of-states
Language:MATLAB 6
mukkelian / DOS-integration
This code can be used to integrate the Density of states (DOS) by simply using Simpson's rule for integration
vasp dos integration density-of-states
Language:Fortran 6
ChangChunHe / draw_band_dos
A simple script to draw band structure and DOS diagram
band-structure density-of-states plotting
Language:MATLAB 4
DanielYang59 / cnn4dos
MPhil Project at QUT: Convolutional Neural Networks and Volcano Plots: Screening and Prediction of Two-Dimensional Single-Atom Catalysts
cnn machine-learning density-functional-theory density-of-states adsorption-energy convolutional-neural-networks descriptor
Language:TeX 3
EgorcaA / qe_helper
Tool to help you analyze and visualize the results from Quantum Espresso (Band structure BS, DOS, pDOS)
band-structure density-functional-theory density-of-states quantum-espresso
Language:Jupyter Notebook 2
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.
nickel ab-initio low-thermal-expansion solubility diffusion clustering defects phd-thesis thermodynamics interstitials density-functional-theory density-of-states phonon
2
eugnsp / vasp_ldos
Depth-resolved density of states plot for VASP
vasp density-functional-theory density-of-states
Language:C++ 1
jarvist / Teclo.jl
Tight Binding calculation of the Density of States of disordered materials
statistical-mechanics julia tight-binding density-of-states urbach-tail disorder
Language:Jupyter Notebook 1
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
autocorrelation-function density-of-states kinetic-energy power-spectrum temperature velocity
Language:Python 1
cennanaradipa / VASP
Post-processing scripts for VASP output files, with focus on gnuplot formats
physics vasp density-functional-theory eigenvalues density-of-states material-science condensed-matter
Language:Python 0
chinchay / GreenPy
Decimation of the Green function in graphene nanoribbons
density-of-states graphene hubbard-model self-consistent-field tight-binding-model nano-ribbon green-functions
Language:Python 0
Enry99 / plvasp
Small tool to plot dos, bandstructure and dos+bandstructure with python's matplotlib, using the files generated by vaspkit
bandstructure vasp vasp-processing density-of-states
Language:Python 0
gmguarino / IonicLiquidFET
Calculations of 2DEG accumulation STO ionic liquid gate electric double layer transistors from Masters thesis
physics condensed-matter-physics density-of-states matlab
Language:MATLAB 0
masaico / TB_models
Numerical methods for tight-binding models --CPA, KPM, Chebyshev expansion
chebyshev-expansion coherent-potential-approximation kernel-polynomial-method python density-of-states schrodinger-equation tight-binding-model
Language:Jupyter Notebook 0
piskunow / fermi-contours
Fermi Contours
contours density-of-states quantum-physics semiclassical
Language:Python 0
prathamn007 / quantum-espresso-projects
A collection of all my personal Quantum Espresso projects
quantum-espresso dft dft-calculations density-functional-theory density-of-states
Language:PostScript 0
jkglasbrenner / electronic-structure-visualization-demo
Demonstration of a simple data visualization dashboard for electronic structure data in a Jupyter notebook.
dft density-functional-theory visualization density-of-states plotly matplotlib interactive jupyter-notebook
Language:Python

density-of-states

joselado / pyqula

JuDFTteam / masci-tools

RemiHelleboid / UltimateEPM

guanjihuan / py.guanjihuan.com

osscar-org / widget-bandsplot

cmdlab / Hetero2d

harrisonlabollita / w2kplot

mukkelian / VASP-DOS-plots

jenskunstmann / vasp-tools

mukkelian / DOS-integration

ChangChunHe / draw_band_dos

DanielYang59 / cnn4dos

EgorcaA / qe_helper

madvid / PhD_influence_HCN_V_defect_solubility_diffusion_O_in_Ni

eugnsp / vasp_ldos

jarvist / Teclo.jl

MolSimGroup / velocity

cennanaradipa / VASP

chinchay / GreenPy

Enry99 / plvasp

gmguarino / IonicLiquidFET

masaico / TB_models

piskunow / fermi-contours

prathamn007 / quantum-espresso-projects

jkglasbrenner / electronic-structure-visualization-demo