My implementation of dft on a single atom using LDA, VWN exchange-correlation functional. LSD yet to be implemented.
numpy, sympy, scipy, concurrent, futures
Self explanatory, Run the main.py file.
The program uses n-1 cores, when n cores are available for faster calculation of exchange-correlation potential. This can be edited in the xc_parallel_compute.py file.
Atomic Reference Data for Electronic Structure Calculations, Atomic Total Energies and Eigenvalues https://www.nist.gov/pml/atomic-reference-data-electronic-structure-calculations/atomic-reference-data-electronic-7