Alternatives and similar repositories for SPMS-psps:

Users that are interested in SPMS-psps are comparing it to the libraries listed below

• wangenau / eminus
  Pythonic electronic structure theory.
  ☆17Updated last week
• aiidateam / aiida-wannier90-workflows
  A collection of advanced automated workflows to compute Wannier functions using AiiDA and the Wannier90 code
  ☆18Updated 2 months ago
• Sassafrass6 / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wave functions on Atomic Orbital bases (PAO)
  ☆22Updated last year
• SPARC-X / M-SPARC
  Matlab Simulation Package for Ab-initio Real-space Calculations
  ☆28Updated 5 months ago
• Mostafa-sh / psp-converter
  Pseudopotential converter from upf to psp8
  ☆11Updated 2 years ago
• EACcodes / VASPEmbedding
  Embedding module for VASP and tools for its use.
  ☆9Updated 2 months ago
• JuDFTteam / FLEUR
  Full-potential Linearized Augmented Plane Wave code FLEUR: All-electron DFT (repo mirror)
  ☆13Updated this week
• KeivanS / Anharmonic-lattice-dynamics
  Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…
  ☆15Updated last month
• MineralsCloud / phq
  phq: a Fortran code to compute phonon quasiparticle properties and dispersions
  ☆14Updated 5 years ago
• NickWoods1 / scf-xn-testsuite
  Set of Kohn-Sham DFT inputs (CASTEP format) for which the SCF iterations are difficult to converge
  ☆13Updated 5 years ago
• anharmonic / d3q
  D3Q + thermal2
  ☆25Updated 3 weeks ago
• tyst3273 / pynamic-structure-factor
  python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…
  ☆18Updated 3 months ago
• filippi-claudia / champ
  The Cornell-Holland Ab-initio Materials Package (CHAMP) is a quantum Monte Carlo suite of programs for electronic structure calculations …
  ☆19Updated this week
• iDEA-org / iDEA
  interacting Dynamic Electrons Approach
  ☆27Updated 9 months ago
• pmla / evgraf
  Geometric analysis of crystal structures
  ☆15Updated 2 years ago
• lab-cosmo / nice
  ☆12Updated last year
• MineralsCloud / pgm
  Calculate thermodynamic properties of matter using phonon gas model (PGM)
  ☆15Updated last year
• flokno / tools.tdep
  ☆19Updated 4 months ago
• abelcarreras / posym
  Point symmetry analysis tool for theoretical chemistry objects
  ☆20Updated last month
• jarvist / Julia-Phonons
  Julia codes to play with Phonons
  ☆24Updated 6 years ago
• pwborthwick / harpy
  Hartree-Fock Python
  ☆17Updated 2 years ago
• jochym / abinitio-methods
  Lecture materials for: Ab initio methods in solid state physics.
  ☆22Updated 4 months ago
• pfloos / QuAcK
  QuAcK: a software for emerging quantum electronic structure methods
  ☆24Updated this week
• asdamle / SCDM
  Code for the Selected Columns of the Density Matrix suite of algorithms
  ☆13Updated 6 years ago
• wannier-berri / WannierBerri-tutorial
  Tutorial for Wannier2022
  ☆14Updated 4 months ago
• obackhouse / gmtkn
  GMTKN test sets in python
  ☆11Updated 3 years ago
• mauropalumbo75 / pyqha
  A python project for quasi-harmonic properties calculations
  ☆9Updated 7 years ago
• wannier-utils-dev / cif2qewan
  ☆16Updated 8 months ago
• perturbo-code / perturbopy
  Suite of Python scripts for Perturbo testing and postprocessing
  ☆11Updated last month
• materialstheory / soliDMFT
  soliDMFT allows to perform charge self-consistent DFT+DMFT calculations by utilizing the triqs library and VASP.
  ☆14Updated 2 years ago