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
• maituoy / BayesianOpt4dftu
  ☆40Updated last year
• yangjio4849 / TransOpt
  The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…
  ☆55Updated 3 years ago
• QijingZheng / VaspVib2XSF
  Visualize vibrational modes from VASP calculations
  ☆43Updated 9 months ago
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆81Updated 5 months ago
• SMTG-Bham / ThermoParser
  A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…
  ☆52Updated 5 months ago
• conodipaola / kg4vasp
  Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP
  ☆25Updated 5 years ago
• gcmt-group / sod
  Site-Occupation Disorder
  ☆45Updated 6 months ago
• JMSkelton / ModeMap
  A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.
  ☆47Updated last year
• yuzie007 / upho
  Band unfolding for phonons
  ☆57Updated last year
• Chengcheng-Xiao / Tools
  DFT post processing tools
  ☆26Updated last year
• Tingliangstu / pySED
  To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.
  ☆44Updated 2 weeks ago
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆65Updated 2 years ago
• jrschmidt2 / periodic-NBO
  ☆36Updated 6 years ago
• JMSkelton / VASP-Examples
  A collection of examples for running different types of VASP calculations.
  ☆31Updated 8 years ago
• michelegalasso / automag
  Automatic search for the most stable magnetic state of a given structure
  ☆24Updated 2 years ago
• InWonYeu / interphon
  Interfacial Phonon code
  ☆28Updated 3 years ago
• kumagai-group / pydefect
  Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
  ☆63Updated 2 months ago
• skelton-group / Phono3py-Power-Tools
  Tools for Phono(3)py power users.
  ☆34Updated 2 years ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆88Updated last year
• mturiansky / nonrad
  Implementation for computing nonradiative recombination rates in semiconductors
  ☆50Updated last week
• QijingZheng / VaspPoscarMayavi
  Use 3D visualization software Mayavi to visualize VASP POSCAR file.
  ☆34Updated 2 years ago
• caizefeng / deltaspin
  A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP
  ☆32Updated 11 months ago
• mbkumar / pycdt
  ☆57Updated 3 years ago
• kavanase / vaspup2.0
  VASP Convergence Testing (for Energy & Dielectric Constants)
  ☆56Updated last year
• tyst3273 / phonon-sed
  Python codes to calculate phonon spectral energy density from LAMMPS velocity data.
  ☆28Updated 4 years ago
• ksaaskil / shc-python-tools
  Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations
  ☆30Updated 3 years ago
• SSCHAcode / python-sscha
  The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
  ☆67Updated last week
• Chengcheng-Xiao / mpiPyMC
  A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.
  ☆36Updated 3 years ago