Case / Article
First-principles study of ionization and diffusion of metal atoms at metal/solid interfaces in electric fields
ISSP Activity Report 2017…Read More
Ab initio phonon calculations for Ca5Ir3O12
ISSP Activity Report 2017…Read More
xTAPP
xTAPP is a first-principles plane-wave pseudo-potential code. It computes band structure and electronic states with high precision for a wide range of materials including metals, oxide surfaces, solid interfaces, and so forth. It has support tools and visualization of output and input, is available as a massively parallel computer using OpenMP, MPI, and GPGPU.