GitHub topics: lcao
sblisesivdin/gpaw-tools
gpaw-tools is a powerful and user-friendly UI/GUI tool for conducting Density Functional Theory (DFT) and molecular dynamics (MD) calculations
Language: Python - Size: 1.81 MB - Last synced at: 16 days ago - Pushed at: 16 days ago - Stars: 26 - Forks: 10
LaurentNevou/Q_band_ZB
Computes the electronic band structure of Zinc Blende semiconductor
Language: MATLAB - Size: 4.12 MB - Last synced at: over 1 year ago - Pushed at: over 3 years ago - Stars: 12 - Forks: 2
dzik143/hfr-f77
[ARCHIVE/2008] Hartree-Fock-Roothan method (F77)
Language: Fortran - Size: 57.6 KB - Last synced at: over 1 year ago - Pushed at: over 4 years ago - Stars: 1 - Forks: 0
dzik143/hfr-cpp
[ARCHIVE/2009] Hartree-Fock-Roothan (C++)
Language: C++ - Size: 101 KB - Last synced at: over 1 year ago - Pushed at: over 4 years ago - Stars: 1 - Forks: 2