Re: [Pw_forum] Calculation for determining Band Inversion due to Spin Orbit Coupling.

2017-01-22 Thread Marrazzo Antimo
Dear Mohammed, once you compute the projected k-resolved DOS (projwfc.x, Wannier90, you name it...) the “procedure” has very little to do with Quantum Espresso and much more with theory of topological insulators. Hence, I suggest you to give a look at some review papers on the subject and

[Pw_forum] Calculation for determining Band Inversion due to Spin Orbit Coupling (edited)

2017-01-21 Thread Mohammed Ghadiyali
Hi All, I 'm working on band structure of Stanene - with and without Spin Orbit Coupling (SOC). I have been able to replicated the reported results, but I 'm not getting how should I detect the band inversion due to SOC. I have performed K resolved DOS, for the same. But I 'm not able to

[Pw_forum] Calculation for determining Band Inversion due to Spin Orbit Coupling.

2017-01-21 Thread Mohammed Ghadiyali
Hi All, I 'm working on band structure of stanene - with and with spin orbit coupling (SOC). I have been able to replicate the results but I 'm not getting how should I detect the band inversion due to SOC. I have performed the k resolved DOS for the same, but I am not to determine any