Alternatives and similar repositories for Periodic_NBO

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

• conodipaola / kg4vasp
  Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP
  ☆25Updated 4 years ago
• tdep-developers / tdep-tutorials
  TDEP Tutorials
  ☆30Updated last month
• Chengcheng-Xiao / VASP_LOL
  VASP - Localized Orbital Locator + Electron Localizability Indicator
  ☆17Updated 2 years ago
• cmdlab / pyGWBSE
  python workflow for GW-BSE calculation
  ☆28Updated 2 years ago
• JaGeo / IR
  Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP
  ☆29Updated 3 years ago
• MDIL-SNU / AMP2
  ☆23Updated last year
• InWonYeu / interphon
  Interfacial Phonon code
  ☆27Updated 2 years ago
• rashidrafeek / Quantum-ESPRESSO-scripts
  Python scripts to postprocess Quantum Espresso calclations.
  ☆18Updated 5 years ago
• JMSkelton / ModeMap
  A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.
  ☆43Updated last year
• skelton-group / Phono3py-Power-Tools
  Tools for Phono(3)py power users.
  ☆33Updated last year
• Chengcheng-Xiao / Tools
  DFT post processing tools
  ☆24Updated 11 months ago
• flokno / tools.tdep
  ☆19Updated 6 months ago
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆36Updated last year
• Sassafrass6 / XtraCrysPy
  A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.
  ☆20Updated 8 months ago
• rehnd / VASP-plot-modes
  Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP
  ☆32Updated last year
• caizefeng / deltaspin
  A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP
  ☆29Updated 8 months ago
• WatsonGroupTCD / Occupation-matrix-control-in-VASP
  Occupation matrix control modification VASP
  ☆49Updated 5 years ago
• gabkrenzer / PhononFlow
  A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.
  ☆34Updated 2 years ago
• DefAP / defap
  DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …
  ☆20Updated 2 months ago
• Chengcheng-Xiao / WOBSTER
  Wannier-orbital Basis Suite Towards Electronic-Structure Reconstruction
  ☆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 3 months ago
• michelegalasso / automag
  Automatic search for the most stable magnetic state of a given structure
  ☆24Updated last year
• jrschmidt2 / periodic-NBO
  ☆36Updated 5 years ago
• rubel75 / fold2Bloch-VASP
  Unfolding the band structure of a supercell obtained with VASP
  ☆25Updated 2 years ago
• kmu / cif2cell
  cif2cell compatible with Python 3+
  ☆12Updated 2 years ago
• dakarhanek / VASP-infrared-intensities
  A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.
  ☆26Updated last year
• JaGeo / AtomicContributions
  Vizualisation of Atomic Contributions to Phonon Modes
  ☆13Updated 8 months ago
• K4ys4r / BoltzTraP_Tools
  BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA
  ☆19Updated 4 years ago
• Volkov-da / curie_calculator
  Magnetic critical temperature Calculator
  ☆17Updated last year
• JMSkelton / VASP-Examples
  A collection of examples for running different types of VASP calculations.
  ☆31Updated 8 years ago