Alternatives and similar repositories for Quantum-Espresso-Tutorial-2019-Projects

Users that are interested in Quantum-Espresso-Tutorial-2019-Projects are comparing it to the libraries listed below

• pranabdas / espresso
  Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.
  ☆137Updated 2 weeks ago
• QijingZheng / VaspBandUnfolding
  A collection of python scripts that deal with VASP outpts, e.g. WAVECAR, POTCAR etc.
  ☆237Updated 2 months ago
• hackingmaterials / amset
  Electronic transport properties from first-principles calculations
  ☆153Updated last week
• raman-sc / VASP
  Python program to evaluate off-resonance Raman activity using VASP code as the backend.
  ☆172Updated 8 years ago
• romerogroup / pyprocar
  A Python library for electronic structure pre/post-processing
  ☆183Updated this week
• QijingZheng / pyband
  band plot using python matplotlib
  ☆165Updated 8 months ago
• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆131Updated 3 years ago
• abelcarreras / DynaPhoPy
  Phonon anharmonicity analysis from molecular dynamics
  ☆129Updated 8 months ago
• SMTG-Bham / sumo
  Heavyweight plotting tools for ab initio calculations
  ☆225Updated 2 months ago
• zerothi / sisl
  Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations
  ☆209Updated last week
• pipidog / ONCVPSP
  Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
  ☆82Updated 5 years ago
• SMTG-Bham / doped
  doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…
  ☆194Updated this week
• afonari / emc
  Effective Mass Calculator for Semiconductors
  ☆107Updated 4 years ago
• QijingZheng / Hefei-NAMD
  ab-initio nonadiabatic molecular dynamics program
  ☆107Updated last year
• ttadano / alamode
  Ab initio simulator for thermal transport and lattice anharmonicity
  ☆172Updated 2 weeks ago
• henniggroup / VASPsol
  Solvation model for the plane wave DFT code VASP.
  ☆154Updated 11 months ago
• tamaswells / VASP_script
  Useful scripts for VASP
  ☆189Updated 3 years ago
• zjwang11 / IRVSP
  IRVSP: to obtain irreducible representations of electronic states in the VASP, Comput. Phys. Comm. 261, 107760 (2021). https://doi.org/10…
  ☆116Updated 2 years ago
• phonopy / phonopy
  Phonon code
  ☆407Updated this week
• skelton-group / Phonopy-Spectroscopy
  A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.
  ☆165Updated last month
• oekosheri / GB_code
  A grain boundary generation code
  ☆69Updated last year
• Chengcheng-Xiao / VASP_OPT_AXIS
  Fix lattice component(s) during relaxation in VASP
  ☆121Updated 3 years ago
• tamuhey / python_1d_dft
  1D density functional theory code in Python
  ☆134Updated 2 years ago
• quanshengwu / wannier_tools
  WannierTools: An open-source software package for novel topological materials. Full documentation:
  ☆287Updated last month
• materialsproject / workshop
  The Materials Project Workshop Curriculum
  ☆116Updated 2 years ago
• band-unfolding / bandup
  BandUP: Band Unfolding code for Plane-wave based calculations
  ☆100Updated 4 years ago
• phoebe-team / phoebe
  A high-performance framework for solving phonon and electron Boltzmann equations
  ☆105Updated this week
• materialsvirtuallab / matgenb
  Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
  ☆257Updated last week
• henriquemiranda / phononwebsite
  Visualise lattice vibrations
  ☆94Updated last month
• qtm-iisc / Twister
  ☆54Updated last year