Asiyeh Shokri

2 Questions 4 Answers 0 Followers

Questions related from Asiyeh Shokri

Plot band structure after using wannier in quantum espresso

I have calculated scf calculation using HSE in quantum espresso while my nqx are 3 3 1. I don't know how to plot the band structure for it I just know that we should use wannier in this way.

01 January 1970 4,074 6 View

#formation_energy including size effect correction

Hello evreyone, I am interested to plot formation energy vs fermi energy for my material. I know there are some corrections due to size and charge effect but I have no idea how to do calculations...

01 January 1970 9,267 1 View