Electrical and Thermal Transport Calculations in Nanostructured Materials by All-Electron Mixed-Basis ab Initio Program TOMBO.

摘要

This is the first annual report of a project that uses locally- developed TOMBO (TOhoku Mixed Basis Orbitals ab-initio program) to study electron transport properties of materials. TOMBO employs mixed basis, composed of plane wave basis sets and atomic basis sets.