TurboRVB Manual

TurboRVB is the core QMC engine for electronic systems, from molecules to extended materials. Use this manual when you work directly with executables, input files, wave functions, and low-level workflow details.

For theoretical background, numerical methods, and validation, please refer to:

TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo

K. Nakano, C. Attaccalite, M. Barborini, L. Capriotti, M. Casula, E. Coccia, M. Dagrada, Y. Luo, G. Mazzola, A. Zen, and S. Sorella,

J. Chem. Phys. 152, 204121 (2020).

Choose Where to Start

Getting Started

Learn the basic concepts, installation steps, and workflow overview before working with input files.

• Open Getting Started

Tutorials

Follow end-to-end examples for representative molecular and condensed-matter calculations.

• Open Tutorials

Reference Guide

Look up input formats, commands, and technical reference material.

• Open the Reference Guide

Code Structure

Use this section when you want executable-level documentation for DFT, conversion, optimization, and related code structure.

• Open Code Structure

Appendix

Check supporting notes and supplementary material that complement the main manual.

• Open the Appendix