Pinned Repositories
CarbonNanotube-ExcitonEnergy
Bethe-Salpeter equation for exciton states in carbon nanotubes
converse-nmr
forked from https://code.google.com/archive/p/converse-nmr/
hybrid_perovskite_structure
Luminescence
Luminescence spectrum due to electron-vibronic coupling
mobility
myqe
qe-gipaw
QE-GIPAW for Quantum-Espresso (official repository)
STE
Calculate STE with ROKS-SIC via CP2K
TDM
Script to calculate the transition dipole moment <a|mu|b> with wave functions in CUBE format
thermal_disp
GnawX's Repositories
GnawX/Luminescence
Luminescence spectrum due to electron-vibronic coupling
GnawX/TDM
Script to calculate the transition dipole moment <a|mu|b> with wave functions in CUBE format
GnawX/hybrid_perovskite_structure
GnawX/mobility
GnawX/myqe
GnawX/qe-gipaw
QE-GIPAW for Quantum-Espresso (official repository)
GnawX/STE
Calculate STE with ROKS-SIC via CP2K
GnawX/thermal_disp
GnawX/CarbonNanotube-ExcitonEnergy
Bethe-Salpeter equation for exciton states in carbon nanotubes
GnawX/converse-nmr
forked from https://code.google.com/archive/p/converse-nmr/
GnawX/cp2k
Quantum chemistry and solid state physics software package
GnawX/dft_tools
small tools for DFT
GnawX/fixed_occupation
approximate singlet excited state
GnawX/irrep
GnawX/nonrad
Implementation for computing nonradiative recombination rates in semiconductors
GnawX/orbm
GnawX/phonopy
Phonon code
GnawX/pyprocar
A Python library for electronic structure pre/post-processing
GnawX/qeirreps
GnawX/SCPC-Method
GnawX/supercell-core
Package for investigation of mulitlayer 2D heterostructures' lattices (Work in progress!)
GnawX/wannier90
Official repository of the Wannier90 code
GnawX/yambo
This is the official GPL repository of the yambo code
GnawX/yambopy
Automatize yambo calculations using python scripts