Auxiliary WaNos

The auxiliary WaNos are a helpful set of WaNos, providing streamlined and automated ways to prepare data and perform repetitive tasks, allowing you to focus on the crucial parts of your scientific projects.


The Mult-It WaNo makes it easy to create lists of floats and integers and read lists of file names. Give it a try and see how it simplifies your workflow! This WaNo streamlines the process of preparing data for the following workflow step allowing you to quickly generate the necessary lists and read the file names in a given .tar file.


Creating a POSCAR for graphite in AB stacking became much easier with Graphite WaNo. Utilizing the power of ASE, this script generates a POSCAR for graphite with AB stacking in a matter of seconds, saving you time and effort. No more manual calculations or adjustments - this WaNo takes care of everything for you. Give it a try and see how it simplifies your workflow and allows you to focus on more important tasks!


Keeping track of your data got much easier with the DB-Generator WaNo. It is perfect for organizing your data and making it easy to find what you need. It generates a lightweight, human-readable database in .yml format for all WaNos of a given workflow, providing an easy way to access key information about your simulations. Say goodbye to cluttered and disorganized folders and hello to streamlined and organized data. Give it a try and see how it simplifies your workflow and makes your data more accessible.


Using ASE technology, this WaNo easily converts a geometry file from format A to format B. Even better, it cleverly solves the problem of missing unit cell information in ‘xyz’ files by generating a cubic unit cell with a lattice parameter 25% larger than the maximum distance between atoms, making adding a unit cell to ‘xyz’ files a breeze.