marvel-nccr / quantum-mobile

Related projects ⓘ

Alternatives and complementary repositories for quantum-mobile

• aiidateam / aiida-quantumespresso
  The official AiiDA plugin for Quantum ESPRESSO
  ☆55Updated this week
• giovannipizzi / seekpath
  A module to obtain and visualize k-vector coefficients and obtain band paths in the Brillouin zone of crystal structures
  ☆114Updated last month
• WMD-group / MacroDensity
  Python package to analyse electron density & electrostatic potential grids
  ☆85Updated 10 months ago
• hackingmaterials / amset
  Electronic transport properties from first-principles calculations
  ☆134Updated 2 weeks ago
• skelton-group / Phonopy-Spectroscopy
  A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
  ☆146Updated 8 months ago
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆114Updated 2 weeks ago
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆71Updated last year
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆171Updated last month
• aiida-vasp / aiida-vasp
  A plugin to AiiDA for running simulations with VASP
  ☆48Updated this week
• dalcorso / pslibrary
  A library of ultrasoft and PAW pseudopotentials
  ☆76Updated 2 years ago
• quantumVITAS / quantumVITAS
  Quantum Visualization Interacting Toolkit for Ab-initio Simulations
  ☆66Updated 3 years ago
• ajjackson / ascii-phonons
  Blender extensions for illustrations of phonons
  ☆60Updated 5 years ago
• abinit / abipy
  Open-source library for analyzing the results produced by ABINIT
  ☆116Updated last week
• yambo-code / yambo
  This is the official GPL repository of the yambo code
  ☆99Updated this week
• henniggroup / MPInterfaces
  Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…
  ☆72Updated 9 months ago
• henniggroup / GASP-python
  Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
  ☆55Updated last year
• vasp-dev / py4vasp
  Python interface for VASP
  ☆78Updated last week
• phonopy / phono3py
  A simulation package of phonon-phonon interaction related properties
  ☆125Updated this week
• band-unfolding / bandup
  BandUP: Band Unfolding code for Plane-wave based calculations
  ☆99Updated 3 years ago
• pipidog / DFTtoolbox
  A toolbox for quickly build inputs and analyze results of DFT codes
  ☆39Updated last year
• fermisurfaces / IFermi
  Fermi surface generation, analysis and visualisation.
  ☆88Updated 2 weeks ago
• dalcorso / thermo_pw
  Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.
  ☆49Updated 2 weeks ago
• raman-sc / VASP
  Python program to evaluate off-resonance Raman activity using VASP code as the backend.
  ☆162Updated 8 years ago
• gVallverdu / bandstructureplots
  Band structure plots using pymatgen and a rgb scale to look at atomic or orbital contributions.
  ☆46Updated 6 years ago
• QEF / q-e_old
  Official mirror of Quantum ESPRESSO
  ☆49Updated 6 years ago
• hungpham2017 / mcu
  Modeling and Crystallographic Utilities
  ☆45Updated last year
• afonari / emc
  Effective Mass Calculator for Semiconductors
  ☆102Updated 4 years ago
• wannier-berri / wannier-berri
  Advanced tool for Wannier interpolation and integration of k-space integrals
  ☆95Updated this week
• shankar1729 / jdftx
  JDFTx: software for joint density functional theory
  ☆83Updated last month
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆85Updated 4 months ago