Alternatives and similar repositories for pyxaid2:

Users that are interested in pyxaid2 are comparing it to the libraries listed below

• QijingZheng / VASP_FermiSurface
  ☆26Updated 2 years ago
• rubel75 / fold2Bloch-VASP
  Unfolding the band structure of a supercell obtained with VASP
  ☆24Updated 2 years ago
• WeibinChu / Hefei-NAMD-DEV
  Hefei-NAMD is an ab initio non-adiabatic molecular dynamics program based on time-dependent density-functional theory and surface hopping…
  ☆16Updated last year
• rehnd / VASP-plot-modes
  Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP
  ☆31Updated 9 months ago
• QijingZheng / VaspPoscarMayavi
  Use 3D visualization software Mayavi to visualize VASP POSCAR file.
  ☆28Updated last year
• haidi-ustc / maptool
  Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.
  ☆16Updated 2 years ago
• rashidrafeek / Quantum-ESPRESSO-scripts
  Python scripts to postprocess Quantum Espresso calclations.
  ☆18Updated 4 years ago
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆35Updated 7 months ago
• Chengcheng-Xiao / Tools
  DFT post processing tools
  ☆23Updated 6 months ago
• caizefeng / deltaspin
  A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP
  ☆24Updated 2 months ago
• marcobn / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)
  ☆37Updated 2 weeks ago
• kylebystrom / pawpyseed
  Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
  ☆32Updated 3 years ago
• QijingZheng / vaspwfc
  create wavefunction file from selected spin, kpoint and band index in VASP wavecar
  ☆14Updated 3 years ago
• DerekDardzinski / vaspvis
  A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.
  ☆34Updated 4 months ago
• conodipaola / kg4vasp
  Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP
  ☆22Updated 4 years ago
• yh-phys / vasp_tools
  Some useful vasp scripts and tools
  ☆22Updated 5 years ago
• vaspkit / 1st_VASPKIT_CUP
  Source codes of the 1st VASPKIT-PAPATERA CUP Awards
  ☆25Updated 5 years ago
• QijingZheng / VASP_TDM
  Transition Dipole Moments from VASP WAVECAR
  ☆24Updated 2 years ago
• cmdlab / pyGWBSE
  python workflow for GW-BSE calculation
  ☆25Updated last year
• InWonYeu / interphon
  Interfacial Phonon code
  ☆25Updated 2 years ago
• tdep-developers / tdep-tutorials
  TDEP Tutorials
  ☆24Updated last month
• 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.
  ☆41Updated 8 months ago
• JMSkelton / VASP-Examples
  A collection of examples for running different types of VASP calculations.
  ☆29Updated 8 years ago
• henniggroup / electronic-structure-visualization
  Visualizations
  ☆13Updated 3 years ago
• bigbrosci / q-robot
  ☆24Updated last year
• chuanxun / StructurePrototypeAnalysisPackage
  Structure Prototype Analysis Package can analyze symmetry and compare similarity of a large number of atomic structures.
  ☆23Updated 2 years ago
• kavanase / vaspup2.0
  VASP Convergence Testing (for Energy & Dielectric Constants)
  ☆51Updated 9 months ago
• band-unfolding / banduppy
  Python version ofthe BandUP code
  ☆21Updated 3 months ago
• WatsonGroupTCD / Occupation-matrix-control-in-VASP
  Occupation matrix control modification VASP
  ☆44Updated 5 years ago