Welcome to mcu’s documentation!

A package for periodic wavefunction and crystallography analysis. mcu is designed to support large scale analysis and topological descriptions for periodic wavefunction.

A quick look

A projected band structure can be plotted simply by:

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import mcu
mymcu = mcu.VASP()
mymcu.plot_pband()
_images/MoS2.png

mcu faciliates the setup and plotting for 2D band structure. For example, one can visualize the Dirac cones of graphene:

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import mcu
mymcu = mcu.VASP()
mymcu.plot_band2D()
_images/gra_band2D.png

or the spin texture:

_images/spin_texture.png

Content: