Quantum ESPRESSO

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QE Maillist

11:29 AM

users: [QE-users] (no subject)

posted on July 12, 2021

2021/07/12 -- kh_f_69 via users

users: [QE-users] (no subject)

posted on July 12, 2021

2021/07/12 -- kh_f_69 via users

QE Maillist

11:54 AM

users: [QE-users] How can I make a Supercell?

posted on July 12, 2021

2021/07/12 -- kh_f_69 via users

users: Re: [QE-users] How can I make a Supercell?

posted on July 12, 2021

2021/07/12 -- Lorenzo Paulatto

users: Re: [QE-users] How can I make a Supercell?

posted on July 12, 2021

2021/07/12 -- Fabio Costa

6 hours later…

EspressoFinder

5:40 PM

Q: What does occupations='tetrahedra' mean in Quantum ESPRESSO?

I am trying to understand Quantum ESPRESSO input file, line by line. So far everything seems pretty easy to understand. However, I do not know what occupations='tetrahedra' means? I saw that it should be used when calculating the density of states, but I do not know why.