The magneto-optical Kerr effect
Posted: Thu Oct 12, 2023 5:44 pm
Dear all,
We are trying to calculate magneto-optical properties of monolayer CrI3 like in paper of Alejandro Molina-Sánchez and et all. (https://doi.org/10.1039/D0TC01322F)
We used Quantum Espresso (QE) code version v7.1. Our calculations include noncollinear, SOC and Hubbard completely same in paper of Alejandro Molina-Sánchez and et all. (https://doi.org/10.1039/D0TC01322F)
After passing QE to Yambo code (v5.0.4) with p2y, we constructed input files using this command like in tutorial at Yambo wiki website (https://www.yambo-code.eu/wiki/index.ph ... err_effect)
And then we calculated both the magneto-optical properties and standard absorption, but we do not obtain any results about absorption or Kerr effect. The results which we obtained are given in zip file.
My Questions:
1- There is no database in tutorial webpage (https://www.yambo-code.eu/wiki/index.ph ... err_effect). May you share that database?
2- Why did not we obtain results? Which step did we do wrong?
We are trying to calculate magneto-optical properties of monolayer CrI3 like in paper of Alejandro Molina-Sánchez and et all. (https://doi.org/10.1039/D0TC01322F)
We used Quantum Espresso (QE) code version v7.1. Our calculations include noncollinear, SOC and Hubbard completely same in paper of Alejandro Molina-Sánchez and et all. (https://doi.org/10.1039/D0TC01322F)
After passing QE to Yambo code (v5.0.4) with p2y, we constructed input files using this command like in tutorial at Yambo wiki website (https://www.yambo-code.eu/wiki/index.ph ... err_effect)
Code: Select all
yambo -optics bse -coulomb -V resp -F yambo_kerr.in
My Questions:
1- There is no database in tutorial webpage (https://www.yambo-code.eu/wiki/index.ph ... err_effect). May you share that database?
2- Why did not we obtain results? Which step did we do wrong?