Re: [QE-users] QE 7.2 error required attribute rank not found

[Paolo Giannozzi]

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             7.50        7.50        7.50    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
___
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
___
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users

[QE-users] QE 7.2 error required attribute rank not found

[Sol Loja via users]

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:
&systemibrav=1,celldm(1)=15,nat=3,ntyp=2,ecutwfc=44.099, ecutrho=440.99, 
/&electronsconv_thr=1.0d-6,mixing_beta=0.7,/&ionsion_dynamics = 
'bfgs',/ATOMIC_SPECIESC 12.011 C.pbe-n-kjpaw_psl.1.0.0.UPFO 15.999 
O.pbe-n-kjpaw_psl.1.0.0.UPFATOMIC_POSITIONS {angstrom}C             
7.50        7.50        7.50    0   0   0O             
8.6736893489        7.5000297668        7.5000297668O             6.3262902178  
      7.4999803011        7.4999803011K_POINTS {gamma}
Best regards,Sol Loja___
The Quantum ESPRESSO community stands by the Ukrainian
people and expresses its concerns about the devastating
effects that the Russian military offensive has on their
country and on the free and peaceful scientific, cultural,
and economic cooperation amongst peoples
___
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list users@lists.quantum-espresso.org
https://lists.quantum-espresso.org/mailman/listinfo/users