Hi Lorenzo and Quantum Espresso friends, It does not in v.6.7MaX:
$ grep -c group pd.pwo
0
$ grep -c "verbosity = 'high'" pd.pwi
1
<snip>
Program PWSCF v.6.7MaX starts on 15Mar2021 at 9: 4:39
This program is part of the open-source Quantum ESPRESSO suite
for quantum simulation of materials; please cite
"P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
"P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
URL http://www.quantum-espresso.org";,
in publications or presentations arising from this work. More details at
http://www.quantum-espresso.org/quote
Parallel version (MPI), running on 4 processors
MPI processes distributed on 1 nodes
K-points division: npool = 4
Reading input from pd.pwi
Warning: card &CELL ignored
Warning: card / ignored
Current dimensions of program PWSCF are:
Max number of different atomic species (ntypx) = 10
Max number of k-points (npk) = 40000
Max angular momentum in pseudopotentials (lmaxx) = 3
File ./pwscf.update deleted, as requested
file Pd.pbe-n-kjpaw_psl.1.0.0.UPF: wavefunction(s) 5S 4D renormalized
Subspace diagonalization in iterative solution of the eigenvalue problem:
a serial algorithm will be used
</snip>
I do find “find_group.f90” in the source, but __not__ something like
“find_sym.f90”.
Met vriendelijke groeten,
Mit freundlichen Grüßen,
With kind regards,
Willem Offermans
Researcher Electrocatalysis SCT
VITO NV | Boeretang 200 | 2400 Mol
Phone:+32(0)14335263 Mobile:+32(0)492182073
[email protected]
> On 19 Mar 2021, at 15:30, Lorenzo Paulatto <[email protected]> wrote:
>
> Well, it does in QE 6.7
> $ grep group pw.out
>
> point group O_h (m-3m)
>
> (This is Silicon) Maybe it has been added since...
> --
> Lorenzo Paulatto - Paris
> _______________________________________________
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