Official Resources
- Homepage: https://www.tombo.page/
- Documentation: https://www.tombo.page/doc
- Source Repository: Distributed via website request or internal
- License: Contact developers
Overview
TOMBO (TOhoku Mixed-Basis Orbitals) is an all-electron ab initio simulation code. It utilizes a unique mixed-basis set approach, combining plane waves with atomic orbitals. This allows it to accurately describe both the localized core electron states and the extended valence/conduction states, making it applicable to a wide variety of systems from clusters to periodic crystals.
Scientific domain: Clusters, crystals, surfaces, excited states
Target user community: Researchers needing high-accuracy all-electron results and excited state properties (GW/BSE)
Theoretical Methods
- Density Functional Theory (DFT)
- Mixed Basis approach (Plane Waves + Atomic Orbitals)
- All-Electron formulation
- GW Approximation (GWA)
- Bethe-Salpeter Equation (BSE)
- Time-Dependent DFT (TDDFT)
- Geometric Optimization
Capabilities
- Electronic structure of isolated and periodic systems
- Optical properties via GW-BSE
- Molecular dynamics (MD)
- Thermodynamic properties
- Accurate treatment of core states
Key Strengths
Mixed Basis Set
- Efficiently handles both core (localized) and valence (delocalized) electrons
- Bridge between plane-wave codes and LCAO codes
- Reduced computational cost compared to pure plane-wave all-electron methods for some systems
Excited States
- Robust implementation of GW approximation and Bethe-Salpeter equation
- Accurate prediction of optical absorption spectra
Inputs & Outputs
- Input: Control files specifying basis limits, structure, and calculation type
- Output: Energy eigenvalues, wavefunctions, optical spectra, forces
Computational Cost
- Scaling: Standard cubic scaling for DFT, higher for GW/BSE.
- Efficiency: Mixed basis reduces the cutoff energy required compared to pure PW codes.
Interfaces & Ecosystem
- Availability:
- Windows and Mac executables available for free download.
- Source code available upon request to developers.
- Input:
- Detailed control files for basis and structure definition.
Advanced Features
- Time-Dependent GW (TDGW):
- Cutting-edge method for excited state dynamics.
- LCAO + Plane Wave:
- Unique hybrid basis set bridging gap between efficiency and accuracy.
Community and Support
- Citation: Requires citation of Ono et al., Comp. Phys. Comm. 189, 20 (2015).
- Documentation: Tutorial textbook and manual available on website.
Verification & Sources
Primary sources:
- Official Website: https://www.tombo.page/
- "TOMBO: All-electron mixed-basis ab initio simulation code"
Confidence: VERIFIED
Status: Active Research Code