Welcome
1.
Getting Started
1.1.
Prerequisites
1.2.
Installation
2.
Running the program
2.1.
Configuration
2.2.
Starting a calculation
3.
Example configurations
3.1.
DFTB ground state calculation
3.2.
DFTB excited state calculation
3.3.
DFTB Optimization
3.4.
FMO-DFTB ground state calculation
3.5.
FMO-DFTB excited state calculation
3.6.
DFTB dynamics simulation
3.7.
DFTB dynamics initial conditions
3.8.
Strong light-matter interactions
Light (default)
Rust
Coal
Navy
Ayu
dialect manual
Example configurations
In this chapter, we present configurations for a few different example calculations.