Alternatives and similar repositories for dlePy

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

• rjacobs914 / VASP-Tools
  A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…
  ☆16Updated 7 years ago
• conodipaola / kg4vasp
  Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP
  ☆24Updated 4 years ago
• ttadano / DistortPerovskite
  Script to generate distorted perovskite structures
  ☆12Updated last year
• SINGROUP / VASP
  Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.
  ☆20Updated 6 years ago
• aradi / SCPC-Method
  ☆26Updated 6 months ago
• Chengcheng-Xiao / Periodic_NBO
  Natural Bond Orbital algorithm to handle systems characterized by periodic symmetry
  ☆20Updated 3 years ago
• JMSkelton / ModeMap
  A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.
  ☆43Updated last year
• kmu / cif2cell
  cif2cell compatible with Python 3+
  ☆11Updated 2 years ago
• henniggroup / electronic-structure-visualization
  Visualizations
  ☆13Updated 3 years ago
• rehnd / VASP-plot-modes
  Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP
  ☆32Updated last year
• warda-rahim / phononplotter
  A tool for plotting phonon dispersion curves and phonon density of states.
  ☆12Updated 4 years ago
• michelegalasso / automag
  Automatic search for the most stable magnetic state of a given structure
  ☆23Updated last year
• InWonYeu / interphon
  Interfacial Phonon code
  ☆27Updated 2 years ago
• Yanggang-Wang-Group / CPTI
  a workflow to do constant potential thermodynamic integration in VASP
  ☆11Updated 6 months ago
• dftbplus / skprogs
  Basic programs for generating Slater-Koster files for the DFTB-method
  ☆26Updated 4 months 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
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆36Updated last year
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆36Updated 4 months ago
• JaGeo / IR
  Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP
  ☆29Updated 3 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
• ShuangLeung / STM_2DScan
  STM-2DScan.py is a postprocessing script for VASP code to generate STM images based on DFT-calculations. It firstly imports volumetric d…
  ☆13Updated 5 years 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
• skelton-group / Phono3py-Power-Tools
  Tools for Phono(3)py power users.
  ☆33Updated last year
• Baijianlu / AICON2
  AICON2: A program for calculating transport properties quickly and accurately
  ☆15Updated last year
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆53Updated last week
• JaGeo / AtomicContributions
  Vizualisation of Atomic Contributions to Phonon Modes
  ☆13Updated 7 months ago
• QuantumMaterialsModelling / vasp-phonopy-sscha
  ☆11Updated 2 years ago
• ponychen123 / Vasptools
  some toolkits for VASP
  ☆30Updated 4 years ago
• ollehellman / ollehellman.github.io
  The documentation site for TDEP.
  ☆28Updated last year
• jeffwdoak / vasp_scripts
  Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.
  ☆24Updated 7 years ago