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langzii's Projects

abacus-lfd icon abacus-lfd

An electronic structure package based on either plane wave basis or numerical atomic orbitals.

cp2k icon cp2k

Quantum chemistry and solid state physics software package

qmcpack icon qmcpack

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids.

vasp_gnuplot icon vasp_gnuplot

First-principle calculation use VASP then use gnuplot to get energy bands or phono bands etc.

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