abinit

There are 0 repository under abinit topic.

• abinit / abinit

  The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are hosted on our https://gitlab.abinit.org/ server. Before embarking on making significant changes, please contact the Abinit group.

  ab-initiodfptkohn-shammbptdensity-functional-theoryabinitfortran
  Language:Fortran 238

• romerogroup / pyprocar

  A Python library for electronic structure pre/post-processing

  abinitband-unfolderbandstructuredftelkfermi-surfacespythonvasp
  Language:Python 179

• abinit / abipy

  Open-source library for analyzing the results produced by ABINIT

  pythonabinitdensity-functional-theorymaterials-sciencematerials-informaticssciencephysicssolid-state-physics
  Language:Python 126

• band-unfolding / bandup

  BandUP: Band Unfolding code for Plane-wave based calculations

  band-unfoldingband-structurevaspabinitquantum-espressoscientific-computingplane-wavecasteppythonfortran
  Language:Fortran 100

• pipidog / DFTtoolbox

  A toolbox for quickly build inputs and analyze results of DFT codes

  density-functional-theoryquantum-espressoabinitelkpostprocesstoolbox
  Language:Python 43

• JannickWeisshaupt / OpenDFT

  Open source graphical interface to various DFT/Quantum chemistry codes

  abinitdensity-functional-theorydftexcitingfeffgraphical-interfacenwchemquantum-chemistryquantum-espresso
  Language:Python 18

• abinit / abitutorials

  Abinit tutorials based on AbiPy

  abinitabipydensity-functional-theoryexercisepythontutorials
  Language:Jupyter Notebook 17

• pyiron / atomistics

  Interfaces for atomistic simulation codes and workflows

  abinitasegpawlammpsmaterials-sciencequantum-espressosiesta
  Language:Jupyter Notebook 8

• abinit / abiconfig

  Configuration files to configure/compile Abinit

  abinitconfigurationcompilationclusters
  Language:Python 7

• mxz2013 / CumuPy

  A python code to compute the cumulante expansion of the Green's function for photoemission spectroscopy

  theoretical-spectroscopygreen-funcitonabinitcumulantpython
  Language:Python 7

• piti-diablotin / agate

  Open-source software to post-process Abinit (https://www.abinit.org) data and more ! See qAgate (https://github.com/piti-diablotin/qAgate) for more advanced Graphical User Interface

  abinitdftphononsimulations
  Language:C++ 7

• piti-diablotin / qAgate

  Qt interface for agate: https://github.com/piti-diablotin/agate

  agateabinitdftabinitio-simulations
  Language:C++ 6

• rnels12 / LOBSTERWF2XSF

  generates xsf-format files from lobster 3D-wavefunctions files

  chemical-bondingelectronic-structurexcrysdenvaspabinitquantum-espresso
  Language:C++ 6

• rnels12 / VASP2ABINIT

  converts VASP POSCAR to ABINIT .in file

  abinitposcarvasp
  Language:C++ 6

• abinit / abiconda

  Conda recipes for the abiconda channel.

  abiconda-channelabinitabinit-executablesabipycondaconda-environmentlinuxmac-osx
  Language:Shell 2

• abinit / agate

  Open-source software to post-process Abinit (https://www.abinit.org) data and more ! See qAgate (https://github.com/piti-diablotin/qAgate) for more advanced Graphical User Interface

  abinitdftmolecular-dynamicsphononsimulation
  Language:C++ 2

• abinit / abinit_issues

  Bug reports and known issues for Abinit

  abinitissues
  1

• Fedesky25 / pynabi

  Python package to easily create Abinit input files

  abinitpython
  Language:Python 0

• saikrishna8642 / computational-physics

  abinit
  Language:Jupyter Notebook 0