gVallverdu / myScripts

Related projects: ⓘ

• JMSkelton / ModeMap
  A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.
  ☆37Updated 4 months ago
• rehnd / VASP-plot-modes
  Tool for plotting modes generated by DFPT calculations (IBRION=7 or 8) in VASP
  ☆28Updated 5 months ago
• conodipaola / kg4vasp
  Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP
  ☆22Updated 4 years ago
• WatsonGroupTCD / Occupation-matrix-control-in-VASP
  Occupation matrix control modification VASP
  ☆39Updated 5 years ago
• InWonYeu / interphon
  Interfacial Phonon code
  ☆25Updated 2 years ago
• SMTG-Bham / ThermoParser
  A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…
  ☆41Updated last month
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆34Updated 3 months ago
• gabkrenzer / PhononFlow
  A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.
  ☆29Updated 2 years ago
• michelegalasso / automag
  Automatic search for the most stable magnetic state of a given structure
  ☆18Updated last year
• QijingZheng / VaspPoscarMayavi
  Use 3D visualization software Mayavi to visualize VASP POSCAR file.
  ☆28Updated last year
• kavanase / vaspup2.0
  VASP Convergence Testing (for Energy & Dielectric Constants)
  ☆42Updated 5 months ago
• Chengcheng-Xiao / Tools
  DFT post processing tools
  ☆23Updated last month
• mbkumar / pycdt
  ☆44Updated 2 years ago
• r2stanton / pyrovskite
  A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.
  ☆20Updated last week
• QijingZheng / VaspVib2XSF
  Visualize vibrational modes from VASP calculations
  ☆35Updated last year
• SINGROUP / VASP
  Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.
  ☆14Updated 5 years ago
• ldwillia / SL3ME
  A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers
  ☆28Updated 2 years ago
• lxf-gzu / vasp_small_script
  ☆17Updated 5 years ago
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆42Updated 3 weeks ago
• marcobn / PAOFLOW
  Utility to construct and operate on Hamiltonians from the Projections of DFT wfc on Atomic Orbital bases (PAO)
  ☆33Updated last week
• gcmt-group / sod
  Site-Occupation Disorder
  ☆35Updated 10 months ago
• kumagai-group / pydefect
  Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
  ☆46Updated 4 months ago
• JaGeo / IR
  Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP
  ☆25Updated 3 years ago
• pipidog / DFTtoolbox
  A toolbox for quickly build inputs and analyze results of DFT codes
  ☆38Updated last year
• bjmorgan / vasppy
  A Python suite for manipulating VASP input and output
  ☆44Updated 3 months ago
• band-unfolding / banduppy
  Python version ofthe BandUP code
  ☆17Updated 3 weeks ago
• Tingliangstu / New-Version-Spectral-decomposition-python-tools
  (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.
  ☆24Updated 3 months ago
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆52Updated last year
• eminamitani / thermal_conductivity_code
  Allen-Feldman thermal conductivity compatible to GULP implementation
  ☆17Updated 5 months ago
• skelton-group / Phono3py-Power-Tools
  Tools for Phono(3)py power users.
  ☆24Updated 10 months ago
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆54Updated this week