brlec

Pinned Repositories

bapt
Band alignment plotting tool
Language:Python00
doped
Collection of Python modules & functions to perform and process solid-state defect calculations
Language:Jupyter Notebook00
effmass
Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
Language:Jupyter Notebook0 0 00
sumo
Heavyweight plotting tools for ab initio calculations
Language:Python00
effmass
Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
Language:Jupyter Notebook70 7 4738
doped
doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defect simulation workflow in an efficient, reproducible, user-friendly yet powerful and fully-customisable manner.
Language:Python129 14 3231
La5Ti2AgS5O7-La5Ti2CuS5O7
Data for 'Understading Photocatalytic Activity of La5Ti2AgS5O7 and La5Ti2CuS5O7: Computational Insights'
Language:Jupyter Notebook0 2 00
surfaxe
Dealing with slabs for first principles calculations of surfaces
Language:Jupyter Notebook52 4 1515
bapt
Band alignment plotting tool
Language:Python22 3 021

brlec's Repositories

brlec/bapt
Band alignment plotting tool
Language:Python00
brlec/doped
Collection of Python modules & functions to perform and process solid-state defect calculations
Language:Jupyter Notebook00
brlec/effmass
Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
Language:Jupyter Notebook0 0 00
brlec/sumo
Heavyweight plotting tools for ab initio calculations
Language:Python00