[Wannier] What is correct usage of translate_home_cell and
a.mostofi at imperial.ac.uk
Tue May 2 09:54:57 CEST 2017
Dear Wannier90 user,
We still do not know who you are or where you are from…
translate_home_cell only affects the centres written to the xyz file, nothing else. On the other hand, translation_centre_frac actually modifies the phase factors that are used to calculate the Hamiltonian in the WF basis.
Arash Mostofi — www.mostofigroup.org<http://www.mostofigroup.org>
Director, CDT in Theory and Simulation of Materials
Director, Thomas Young Centre @Imperial
Imperial College London
On 2 May 2017, at 01:48, balabi <balabi at qq.com<mailto:balabi at qq.com>> wrote:
Thank you so much for reply.
You are right. They are indeed still in the home cell. They are so 'far away' from C atom, makes me feel they are not in the home cell. I should have double check that.
Besides, I think I don't quite understand translation_centre_frac. It seems that translation_centre_frac is similar to translate_home_cell except that it can translate to WF centers to arbitray cell? Am I right?
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