[QE-users] The orbitals of a hydrogen atom

[Paolo Giannozzi]

On 12/10/2024 02:34, Toshiharu Higuchi via users wrote:

> Please tell me what the problem is.

your input syntax:

>                     kpoint(1) = 1,
>                     kpoint(2) = 1,
>                      kband(1) = 1,
>                      kband(2) = 16,

is newer than the QE version that you are using:

>       Program POST-PROC v.6.0

Paolo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216