Alternatives and similar repositories for Occupation-matrix-control-in-VASP

Users that are interested in Occupation-matrix-control-in-VASP are comparing it to the libraries listed below

• rehnd / VASP-plot-modes
  Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP
  ☆34Updated last year
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆38Updated last year
• conodipaola / kg4vasp
  Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP
  ☆26Updated 5 years ago
• kumagai-group / pydefect
  Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
  ☆65Updated last month
• QijingZheng / VaspVib2XSF
  Visualize vibrational modes from VASP calculations
  ☆45Updated 11 months ago
• yangjio4849 / TransOpt
  The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…
  ☆55Updated 3 years ago
• AdityaRoy-1996 / Phonopy_VESTA
  Export Eigenvectors from Phonopy format to VESTA
  ☆51Updated last year
• caizefeng / deltaspin
  A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP
  ☆33Updated last year
• maituoy / BayesianOpt4dftu
  ☆41Updated last year
• yuzie007 / upho
  Band unfolding for phonons
  ☆58Updated last year
• SMTG-Bham / ThermoParser
  A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…
  ☆52Updated 8 months ago
• JMSkelton / ModeMap
  A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.
  ☆47Updated last year
• michelegalasso / automag
  Automatic search for the most stable magnetic state of a given structure
  ☆25Updated 2 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…
  ☆123Updated 3 years ago
• FourPhonon / FourPhonon
  An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity
  ☆73Updated last month
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆65Updated 2 years ago
• llodeiro / DensityTool
  DensityTool post-processing program for VASP
  ☆31Updated 2 years ago
• gcmt-group / sod
  Site-Occupation Disorder
  ☆47Updated 9 months ago
• kavanase / vaspup2.0
  VASP Convergence Testing (for Energy & Dielectric Constants)
  ☆55Updated 2 months ago
• SSCHAcode / python-sscha
  The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
  ☆68Updated 3 months ago
• JMSkelton / VASP-Examples
  A collection of examples for running different types of VASP calculations.
  ☆31Updated 9 years ago
• mxchen-2020 / kproj
  KPROJ: A Band Unfolding Program
  ☆47Updated 11 months ago
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆83Updated 8 months ago
• Tingliangstu / pySED
  To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.
  ☆48Updated last week
• Cloudiiink / pyw90
  A VASP and Wannier90 interfaced tool for projection analysis and fully automated dis energy window optimization
  ☆44Updated last year
• skelton-group / Phono3py-Power-Tools
  Tools for Phono(3)py power users.
  ☆34Updated 2 years ago
• mbkumar / pycdt
  ☆61Updated 3 years ago
• Infant83 / VASPBERRY
  Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code
  ☆78Updated 5 months ago
• Chengcheng-Xiao / Tools
  DFT post processing tools
  ☆26Updated last year
• QijingZheng / VaspPoscarMayavi
  Use 3D visualization software Mayavi to visualize VASP POSCAR file.
  ☆35Updated 2 years ago