[QE-users] Huge difference in the total and Fermi energies in vc-relax, scf and dos

[Paolo Giannozzi]

On 17/12/2022 19:16, Impact Group via users wrote
> The final atomic positions in the output is as follows
> [...]
> But the same material is getting relaxed properly in vasp and its input 
> can be procured from the same link

are you saying that it is not "getting relaxed properly"? What is wrong 
in the output you report?

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