[QE-users] "Eigenvectors exchange needed " in the ph.x calculation
Gang Yang
gang.yang at ec-lyon.fr
Fri Mar 11 14:12:01 CET 2022
Dear users and experts:
I carried on a phonon calculation for a 20 atom strucuture using QE ph.x. However, in the ph.x output file, it show some messages as follow:
"Dynamical matrices for ( 2, 2, 2) uniform grid of q-points
( 6 q-points):
N xq(1) xq(2) xq(3)
1 0.000000000 0.000000000 0.000000000
2 0.000000000 0.000000000 -0.397359503
3 -1.222792984 -0.255394699 0.000000000
4 -1.222792984 -0.255394699 -0.397359503
5 -2.445585969 0.000000000 0.000000000
6 -2.445585969 0.000000000 -0.397359503
Eigenvectors exchange needed 1 31
Eigenvectors exchange needed 3 33
Eigenvectors exchange needed 5 35
Eigenvectors exchange needed 7 37
Eigenvectors exchange needed 9 39
Eigenvectors exchange needed 11 41
Eigenvectors exchange needed 13 43
Eigenvectors exchange needed 15 45
Eigenvectors exchange needed 17 47
"
I have two questions:
1.) I don't know that what exactly " Eigenvectors exchange needed " mean?
2) Will it cause a negative frequencies?
Thank you.
Regards,
Yang Gang
Institut des Nanotechnologies de Lyon (INL) - UMR5270
Ecole Centrale de Lyon
36, Avenue Guy de Collongue
69 134 Ecully Cedex
Tél.: +33 (0)7 64 83 01 70
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