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solid_dmft Public
Forked from TRIQS/solid_dmftsolid_dmft is a versatile python wrapper to perform DFT+DMFT calculations utilizing the TRIQS software library.
Python Other UpdatedMay 19, 2023 -
koopmans-copy Public
Forked from epfl-theos/koopmansImplementation of Koopmans-compliant functionals in Quantum ESPRESSO
Python GNU General Public License v3.0 UpdatedOct 24, 2022 -
Automatic-Quantum-Espresso-to-YAMBO-scripts-in-HPC Public
Forked from SitangshuIIITA/Automatic-Quantum-Espresso-to-YAMBO-scripts-in-HPCThis is an automatic set of scripts that does all the computations at one shot.
Shell UpdatedSep 2, 2022 -
MuST Public
Forked from vishnu2709/MuSTMultiple Scattering Theory code for first principles calculations
Fortran BSD 3-Clause "New" or "Revised" License UpdatedJul 28, 8000 2022 -
SG15-ONCV-psp8 Public
Forked from Mostafa-sh/SG15-ONCV-psp8SG15 pseudopotentials in psp8 converted from the upf files
MIT License UpdatedJun 29, 2022 -
abipy Public
Forked from abinit/abipyOpen-source library for analyzing the results produced by ABINIT
Python Other UpdatedJun 28, 2022 -
sqs2QE_VASP-copy1 Public
Forked from rpadhikari/sqs2QE_VASPConverts bestsqs.out generated by mcsqs of ATAT package to Quantum-Espresso and VASP format.
Shell GNU General Public License v3.0 UpdatedApr 20, 2022 -
ATOMPAW-PBEsol-SR Public
Forked from PseudoDojo/ATOMPAW-PBEsol-SRLatest version of the PAW PBEsol SR pseudopotentials
Python UpdatedJan 3, 2022 -
ONCVPSP-PBEsol-FR Public
Forked from PseudoDojo/ONCVPSP-PBEsol-FRLatest version of the NC PBEsol FR pseudopotentials
HTML UpdatedDec 27, 2021 -
ONCVPSP-PBEsol-SR Public
Forked from PseudoDojo/ONCVPSP-PBEsol-SRLatest version of the NC PBEsol SR pseudopotentials
HTML UpdatedDec 27, 2021 -
ATOMPAW-PBEsol-JTHv1.1 Public
Forked from PseudoDojo/ATOMPAW-PBEsol-JTHv1.1JTH PBEsol scalar-relativistic table version 1.1
Python UpdatedDec 20, 2021 -
ONCVPseudoPack Public
Forked from MarioAndWario/ONCVPseudoPackCollection of ONCVPSP pseudopotentials for density-functional theory calculations
Shell UpdatedSep 6, 2021 -
sisl Public
Forked from zerothi/sislScientific Python toolbox for large scale tight-binding and electronic structure calculations (DFT and NEGF analysis)
Python GNU Lesser General Public License v3.0 UpdatedMay 27, 2020 -
plumed2 Public
Forked from plumed/plumed2Development version of plumed 2
C++ GNU Lesser General Public License v3.0 UpdatedMay 27, 2020 -
Quantum chemistry and solid state physics software package
Fortran GNU General Public License v2.0 UpdatedMay 20, 2020
libxsmm Public
Forked from libxsmm/libxsmmLibrary targeting Intel Architecture for specialized dense and sparse matrix operations, and deep learning primitives.
Git Source Code Mirror - This is a publish-only repository and all pull requests are ignored. Please follow Documentation/SubmittingPatches procedure for any of your improvements.
VaspBandUnfolding Public
Forked from QijingZheng/VaspBandUnfoldinga python class for dealing with VASP WAVECAR.
StatSTEM Public
Forked from quantitativeTEM/StatSTEMprismatic Public
Forked from prism-em/prismaticC++/CUDA package for parallelized simulation of image formation in Scanning Transmission Electron Microscopy (STEM) using the PRISM and multislice algorithms
abinit Public
Forked from abinit/abinitThe official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are hosted on our https://gitlab.abinit.org/ server. Before emb…
Quantum-Espresso-Tutorial-2019-Projects Public
Forked from quantumNerd/Quantum-Espresso-Tutorial-2019-ProjectsTEM_SIMU_MATLAB Public template
Forked from FrancisBlackLee/TEM_SIMU_MATLABTEM&STEM simulation in matlab
pseudo_dojo Public
Forked from abinit/pseudo_dojoPython framework for generating and validating pseudo potentials
Mirror of the Quantum ESPRESSO repository
ase-espresso Public
Forked from vossjo/ase-espressoase interface for Quantum Espresso
irvsp Public
Forked from zjwang11/IRVSPto compute Irreducible Representations of electronic states in Vienna ab-initio Simulation Package (irvsp) -------------------- Please cite arXiv:2002.04032 when you use any code in this repository.
abitutorials Public
Forked from abinit/abitutorialsAbinit tutorials based on AbiPy
ONCVPSP-pipidog Public
Forked from pipidog/ONCVPSPOptimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format