Alternatives and similar repositories for FLEUR

Users that are interested in FLEUR are comparing it to the libraries listed below

• SPARC-X / SPMS-psps
  SPMS table of pseudopotentials
  ☆19Updated 2 years ago
• MineralsCloud / phq
  phq: a Fortran code to compute phonon quasiparticle properties and dispersions
  ☆14Updated 5 years ago
• wannier-berri / WannierBerri-tutorial
  Tutorial for Wannier2022
  ☆15Updated last month
• aiidateam / aiida-wannier90-workflows
  A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code
  ☆19Updated 2 weeks ago
• MineralsCloud / pgm
  Calculate thermodynamic properties of matter using phonon gas model (PGM)
  ☆15Updated last year
• KeivanS / Anharmonic-lattice-dynamics
  Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…
  ☆16Updated 2 months ago
• MineralsCloud / cij
  Semiemperical quasiharmonic thermal elasticity
  ☆20Updated last year
• anharmonic / d3q
  D3Q + thermal2
  ☆26Updated 2 weeks ago
• TMM-TUDA / Automatic-wannier-flow
  Automatic construction of wannier functions for any 3D transition metal based system with or without SOC
  ☆13Updated 3 years ago
• jimustafa / wannier90-utils
  A library of Python modules for reading/writing and manipulating data associated with the wannier90 code
  ☆14Updated 4 years ago
• Sassafrass6 / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)
  ☆24Updated last year
• MDIL-SNU / AMP2
  ☆20Updated last year
• flokno / tools.tdep
  ☆19Updated 6 months ago
• jarvist / Julia-Phonons
  Julia codes to play with Phonons
  ☆24Updated 6 years ago
• iDEA-org / iDEA
  interacting Dynamic Electrons Approach
  ☆27Updated this week
• rashidrafeek / Quantum-ESPRESSO-scripts
  Python scripts to postprocess Quantum Espresso calclations.
  ☆18Updated 5 years ago
• ttadano / alamode_tutorial
  Tutorial files for alamode
  ☆12Updated 10 months ago
• spglib / spinspg
  Python package for detecting spin space group on top of spglib
  ☆15Updated 2 months ago
• bjmorgan / py-sc-fermi
  py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…
  ☆28Updated 2 weeks ago
• aiidateam / aiida-wannier90
  AiiDA plugin for the Wannier90 code
  ☆11Updated last year
• fwzheng / phonon_unfolding
  A Fortran90 program for unfolding phonon dispersions
  ☆10Updated 5 years ago
• materialstheory / soliDMFT
  soliDMFT allows to perform charge self-consistent DFT+DMFT calculations by utilizing the triqs library and VASP.
  ☆14Updated 2 years ago
• kylebystrom / pawpyseed
  Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
  ☆33Updated 3 years ago
• superstar54 / weas-widget
  A widget to visualize and edit atomic structures in Jupyter Notebook
  ☆33Updated 4 months ago
• asdamle / SCDM
  Code for the Selected Columns of the Density Matrix suite of algorithms
  ☆13Updated 6 years ago
• Chengcheng-Xiao / Periodic_NBO
  Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry
  ☆20Updated 3 years ago
• InWonYeu / interphon
  Interfacial Phonon code
  ☆27Updated 2 years ago
• cmdlab / pyGWBSE
  python workflow for GW-BSE calculation
  ☆28Updated 2 years ago
• skelton-group / Phono3py-Power-Tools
  Tools for Phono(3)py power users.
  ☆33Updated last year
• perturbo-code / perturbopy
  Suite of Python scripts for Perturbo testing and postprocessing
  ☆12Updated last month