siesta topic

Atomsk: A Tool For Manipulating And Converting Atomic Data Files -

pierrehirel

Electronic structure Python package for post analysis and large scale tight-binding DFT/NEGF calculations

zerothi

Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT

tfrederiksen

a python package for computing magnetic interaction parameters

mailhexu

A family tree API server implementation with iOS client. Server has been implemented with Perfect: Server-Side Swift And iOS client is in pure Swift.

partho-maple

Implementation of a machine learned density functional

semodi

FDF files for relaxation, PDOS and Denchar calculations in SIESTA 4.0.2 version as well as 4.1v and PSML supported version

pritampanda15