When using python interactively, I often type the object name to get the string representation rather than use print(). The difference is that the first uses obj.__repr__ while print uses obj.__str__. When printing a list, the items in the list are also represented by the __repr__ rather than __str__.

__repr__ is currently unimplemented for most sisl objects. So when typing eg. `

Not all commands and variables in Qball match with those in Qbox. So, is there any documentation of all differences? If not, I can help

Example, I don't understand the second argument of "threshold_scf"

Output file for the final phase diagram and a function to read that output file back into the program. This functionality allows users to alter the final plot to suit their needs.

Many places we use sys.exit(...) or simply kuk (the lazy, Swedish version) to abort execution.

Nick suggests that it is clearer to raise errors since Python scripts can then continue (if needed).

Need a 'quick start' guide.

1. Installation -- in particular if they download the binaries users need to know what packages to install.
2. How to/the need to modifying the CONFIG.x files may not be obvious the first time you use ECCE
3. Nice glossy little tutorial showing how to do a few basic computations