About the phosphorene tutorial

[Heinz]

Hi,

I set up 2D phosphorene per the tutorial: http://quantumwise.com/publications/tutorials/item/516-how-to-create-a-crystal-structure-with-the-crystal-builder

However I cannot follow the bandstructure route as the key S is not allowed.  How was the bandstructure route set for this tutorial? Could you please send the input .py file for this tutorial?

Best,

[Anders Blom]

I don't have the scripts at my fingertips but looking at how the structure is set up, I believe the monolayer structure is represented as a SimpleOrthorhombic lattice class, for which S is available.

[Heinz]

Unfortunately it doesn't permit S key. Do you have any suggestions?

[Anders Blom]

For sure S is allowed if you use SimpleOrthorhombic - see picture.