smfarzaneh / group14-monolayer-abinitio

Ab initio calculation of the fully-relativistic electronic band structure of the group 14 monolayers using Quantum ESPRESSO

group14-monolayer-abinitio

Ab initio calculation of the fully-relativistic electronic band structure of silicene using Quantum ESPRESSO

Set Quantum ESPRESSO path

The file set-path needs to be modified with the correct path to the root directory of Quantum ESPRESSO folder on your machine.

QE_PATH=$HOME/code/qe-6.5  # replace with your quantum espresso path

Atomic masses from NIST