GitHub topics: local-density-approximation
real-space/AngstromCube
A parallel and GPU-accelerated Code for Real-Space All-Electron Linear-Scaling Density Functional Theory
Language: C++ - Size: 33.2 MB - Last synced at: 9 days ago - Pushed at: 10 days ago - Stars: 7 - Forks: 2
pwborthwick/kspy-lda 📦
Density Functional Theory Integration Grid and Local Density Approximation
Language: Python - Size: 198 KB - Last synced at: over 1 year ago - Pushed at: over 2 years ago - Stars: 0 - Forks: 2
vitelot/DiracAtom
Solve Dirac equation for the electrons in an isolated atom
Language: C - Size: 300 KB - Last synced at: over 1 year ago - Pushed at: almost 4 years ago - Stars: 0 - Forks: 0
cndaqiang/ONCVPSP_LDA Fork of pipidog/ONCVPSP
Optimized Norm-Conserving Vanderbilt Pseudopotential for Quantum Espresso in UPF format
Language: Python - Size: 116 MB - Last synced at: over 2 years ago - Pushed at: about 3 years ago - Stars: 1 - Forks: 2
