Troubles calculating Z2 (graphene)

Jimena Olmos Asar jimenaolmos at gmail.com
Fri Nov 18 12:49:37 CET 2016


Good morning,
I am trying to learn how to run the Z2Pack, since it would be really useful
for my research project. After some trials, I could get the expected
results for two examples you offer: Bi and Bi2Se3. Now I would like to test
some known system, like graphene, to check if what I'm doing is correct.
Well, it may not be the case, since I can't get Z2=1. Would you, please,
give me a hint? I attach the "run.py" file, scf and wannier90 inputs. I
also add the pseudopotential (it was generated using the code by Andrea del
Corso, within the QE package).
Thanks in advance,
Jimena Olmos Asar
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