Dear All,
Recently, I have came across files and slides from MASTANI Summer School
from 2014, in particular - the calculation of Raman spectrum of graphene
nanoribbon. I would like to reproduce this example. Unfortunately, version
6.3 doesn't allow me to do that.
This is he error message:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine phq_setup (1):
third order derivatives not implemented with GGA
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
May I ask you where can I find the version of qe which has this
implementation?
Kind regards,
Karolina
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