General

• High precision all-electron DFT code based on the FP-LAPW method including local-orbitals
• Various xc functionals available
• Calculation of forces and structural optimization
• Treatment of magnetism in the most general way, including spin-orbit coupling and non-collinear magnetism
• Plotting of band structure, Fermi surface, charge density, potential etc. (1D, 2D and 3D)
• Visualization with xmgrace and XCrySDen supported
• MPI k-point parallelization, as well as optimization for multithreaded numeric libraries (BLAS LAPACK)
• Simple to use: just one input file required

Excited states

• Macroscopic dielectric function within time-dependent DFT and the Bethe-Salpeter equation
• Available exchange-correlation kernels: RPA, ALDA, long-range contribution model-kernels, BSE-derived kernel
• RPA and ALDA loss function for finite momentum transfer q-vectors

Programming

• Clean, simple code structure - ideal for development
• MPI parallelization
• Strict Fortran 90 compliance
• Only one language used
• Free-form style input file
• Full LaTeX documentation included with every subroutine
• XML inputs / outputs