[QE-users] HP code not recognizing DFT+U is active

[Paolo Giannozzi]

On 1/12/23 04:53, a.pramos wrote:

> First of all, when including a V parameter in the SCF run between both 
> Ni-3d - O-2p and and Ni-4s - O-2p pairs, the SCF code will not run.

what does it mean "will not run"?

> When deleting these interactions, and accounting only for the U parameter for 
> Ni-3d and Ni-4s, as in the input I attach, the SCF will be completed smoothly 

the input NiOHOpthp.in you provided has all U and V parameters and works 
for me (at least with the development version)

> but the hp code won't recognize DFT+U is active. I attach you 
> the inputs of the SCF and HP, as well as the output of HP with the error.

I don't see any HP input and output

Paolo

> 
> Best regards,
> Álvaro
> 
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Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
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