[QE-users] QE 7.2 error required attribute rank not found
Paolo Giannozzi
paolo.giannozzi at uniud.it
Fri Apr 19 10:17:18 CEST 2024
Can't reproduce
Paolo
On 12/04/2024 09:43, Sol Loja via users wrote:
> Dear QE Users Forum,
>
> I am encountering the following error after running a nscf calculation
> on QE 7.2:
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> task # 0
> from qes_read: matrixType : error # 10
> required attribute rank not found, can't read further, stopping
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>
> Please advise me on how to address this. Below is the input file:
>
> &system
> ibrav=1,
> celldm(1)=15,
> nat=3,
> ntyp=2,
> ecutwfc=44.099,
> ecutrho=440.99,
> /
> &electrons
> conv_thr=1.0d-6,
> mixing_beta=0.7,
> /
> &ions
> ion_dynamics = 'bfgs',
> /
> ATOMIC_SPECIES
> C 12.011 C.pbe-n-kjpaw_psl.1.0.0.UPF
> O 15.999 O.pbe-n-kjpaw_psl.1.0.0.UPF
> ATOMIC_POSITIONS {angstrom}
> C 7.5000000000 7.5000000000 7.5000000000 0
> 0 0
> O 8.6736893489 7.5000297668 7.5000297668
> O 6.3262902178 7.4999803011 7.4999803011
> K_POINTS {gamma}
>
> Best regards,
> Sol Loja
>
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--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
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