# Introduction to the Tutorials¶

- The
*nano-qmflows*packages offers the following set of workflows to compute different properties: single_points

coop_calculation

ipr_calculation

derivative_coupling

absorption_spectrum

distribute_absorption_spectrum

## Known Issues¶

### Distribution of the workflow over multiple nodes¶

CP2K can uses multiple nodes to perform the computation of the molecular orbitals using the **MPI** protocol. Unfortunately, the MPI implementation for the computation of the *derivative coupling matrix* is experimental and unestable. The practical consequences of the aforemention issues, is that **the calculation of the coupling matrices are carried out in only 1 computational node**. It means that if you want ask for more than 1 node to compute the molecular orbitals with CP2K, once the workflow starts to compute the *derivative couplings* only 1 node will be used at a time and the rest will remain idle wating computational resources.