Van Hove tuning of AV3Sb5 kagome metals under pressure and strain

Here are provided input and results concerning our paper "Van Hove tuning of AV3Sb5 kagome metals under pressure and strain". 

You can find material on the CDW phases (Star of David and inverse Star of David), about the geometries and the total energy values as a function of the hydro-static pressure. Also you can find the density of states and the band structures as a function of pressure and uniaxial strain (along a-axis or along c-axis) for the three compounds CsV3Sb5, KV3Sb5 and RbV3Sb5.

The calculations have been mainly done with VASP, and post-processed with vaspkit. 

Further information can be found inside the README file, or inside the files themselves. 

Please contact the corresponding author for any question or comment.