[QE-users] Dielectric tensor

Chandler Bennett mcbennet at ncsu.edu
Fri Aug 10 15:58:36 CEST 2018


I am attempting to run ph.x on a converged scf calculation (geometry taken
from a converged vc-relax run).

However, for the dielectric tensor, I see the following

************************          1.615397406741         -0.000000000000
          1.211548055056************************         -0.000000000139
          0.000000000121          0.000000000209        291.291652303297

Can someone help me understand why some of the matrix elements are not
being printed correctly?


-- 

Chandler Bennett
NCSU Department of Physics
Partners III Building, Rm 133
Phone: (919) 291-6597
mcbennet at ncsu.edu
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20180810/849fd60f/attachment.html>


More information about the users mailing list