[QE-users] [SPAM] About errors in calculating phonon spectra in the new version of Hubbard+U

[Paolo Giannozzi]

Cannot reproduce with either v.7.2 or 7.3

Paolo

On 01/04/2024 11:27, 3301829239 via users wrote:
> Dear developer：
>            I tried to use the new version of QE to calculate scf and 
> then phonon spectrum, and there was no problem with self consistency. 
> When calculating phonon spectrum, I always reported an error. After 
> reading the discussion on these topics on the forum, I determined that 
> there is label=3D in the pseudopotential. My example is FeO in example08 
> in the PW module. I have uploaded my calculation file to you and request 
> your help in pointing out how to set up error avoidance: from 
> offset-atom_wfc: error # 1
> Hubbard manifold with zero occurrences is not allowed
> Best wishes！
> Quxiao

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