Alternatives and similar repositories for phq

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

• SPARC-X / SPMS-psps
  SPMS table of pseudopotentials
  ☆19Updated 2 years ago
• TnakaTnakaTnaka / PHNEGF
  Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory
  ☆23Updated 5 years ago
• QijingZheng / vaspwfc
  create wavefunction file from selected spin, kpoint and band index in VASP wavecar
  ☆14Updated 3 years ago
• InWonYeu / interphon
  Interfacial Phonon code
  ☆28Updated 3 years ago
• mailhexu / pyDFTutils
  A python package of utils for DFT, Tight binding, etc.
  ☆16Updated 2 months ago
• KeivanS / Anharmonic-lattice-dynamics
  Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…
  ☆16Updated last month
• rashidrafeek / Quantum-ESPRESSO-scripts
  Python scripts to postprocess Quantum Espresso calclations.
  ☆18Updated 5 years ago
• wxmwy / ShengBTE
  This is a GPU optimized version of ShengBTE.
  ☆17Updated 10 months ago
• ac-dias / wantibexos
  WanTiBEXOS code repository
  ☆14Updated 2 weeks ago
• QuantumMaterialsModelling / bands4vasp
  bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…
  ☆14Updated 3 weeks ago
• CoMeT4MatSci / dftbephy
  Calculating electron-phonon couplings with DFTB.
  ☆10Updated this week
• Quantum-Dynamics-Hub / pyxaid2
  ☆13Updated 7 years ago
• Baijianlu / AICON2
  AICON2: A program for calculating transport properties quickly and accurately
  ☆15Updated last year
• Chengcheng-Xiao / Periodic_NBO
  Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry
  ☆20Updated 3 years ago
• ttadano / alamode_tutorial
  Tutorial files for alamode
  ☆13Updated last year
• QG-phy / TBSOC
  Calculate ab initio spin-orbital coupling strength for Wannier tight-binding models.
  ☆26Updated last year
• flokno / tools.tdep
  ☆19Updated 8 months 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
• michaelschueler / dynamics-w90
  A collection of codes to compute dynamics and response quantities from Wannier90 output
  ☆13Updated last month
• jarvist / Julia-Phonons
  Julia codes to play with Phonons
  ☆24Updated 6 years ago
• sousaw / BTE-Barna
  Extension of almaBTE's Monte Carlo code beyond the relaxation-time approximation.
  ☆11Updated last year
• fwzheng / phonon_unfolding
  A Fortran90 program for unfolding phonon dispersions
  ☆10Updated 5 years ago
• romankempt / hetbuilder
  Builds 2D heterostructures via coincidence lattice theory.
  ☆14Updated last year
• rubel75 / fold2Bloch-VASP
  Unfolding the band structure of a supercell obtained with VASP
  ☆25Updated 2 years ago
• LLNL / csld
  Compressive sensing lattice dynamics
  ☆28Updated 6 months ago
• ccme-tmc / tmckit
  ☆11Updated 4 years ago
• yw-choi / qe_unfolding
  band unfolding using quantum espresso
  ☆10Updated 2 years ago
• henniggroup / electronic-structure-visualization
  Visualizations
  ☆14Updated 3 years ago
• materialstheory / soliDMFT
  soliDMFT allows to perform charge self-consistent DFT+DMFT calculations by utilizing the triqs library and VASP.
  ☆15Updated 3 years ago
• marcobn / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)
  ☆42Updated last month