[QE-users] Segmentation fault when including V Hubbard parameter

[Paolo Giannozzi]

It's a (small) bug: when card HUBBARD with V is read, an array is 
required that is allocated only if card ATOMIC_POSITIONS is read.
Quick fix: move card HUBBARD after card ATOMIC_POSITIONS.

Paolo

On 09/01/2023 09:49, a.pramos wrote:
> Hello everyone,
> 
> I'm testing the new implementation of DFT+U+V in QE 7.1 and wanted to 
> run a calculation of the V parameter of Ni(OH)2. Only accounting for the 
> U parameters doesn't bring any trouble, but when adding any V parameter 
> to the input, the program calls a segmentation fault. I've tried to run 
> the example 10 of the HP module, which also adds V parameters, with the 
> same result.
> Find attached my input and my console log.
> 
> Best wishes,
> Álvaro
> 
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216