How to choose fermi_energy and fsthick
Posted: Wed May 29, 2024 7:22 pm
Greetings!
I'm having some trouble to run the epw code. My question may seem naive and I will greatly appreciate your response.
In nscf calculation I got the highest occupied level= 0.6561 eV and lowest unoccupied level= 2.8025 eV. Then in first epw run got the ibndmin= -0.152 eV and ibndmax= 3.892 eV. then in next epw calculation how i choose "fermi_eenrgy" and "fsthick"
I'm having some trouble to run the epw code. My question may seem naive and I will greatly appreciate your response.
In nscf calculation I got the highest occupied level= 0.6561 eV and lowest unoccupied level= 2.8025 eV. Then in first epw run got the ibndmin= -0.152 eV and ibndmax= 3.892 eV. then in next epw calculation how i choose "fermi_eenrgy" and "fsthick"