[Wannier] how to find projections in seedname.win?

Mostofi, Arash a.mostofi at imperial.ac.uk
Sun Dec 14 13:53:41 CET 2014


Dear Zeina,

Within the Quantum-Espresso suite the projections for Wannier90 are calculated (among other things) by the post-processing code pw2wannier90 (in the PP directory of the QE distribution).

It would probably be very helpful for you to go through the Wannier90 tutorials if you have not already done so. These take you step-by-step through the process of setting up certain calculations, including the use of projections and pw2wannier90. The document describing the tutorials can be found in the Wannier90 source under /doc/tutorial.pdf and the input files under /examples.

Best wishes,

Arash

—
Dr Arash Mostofi — www.mostofigroup.org<http://www.mostofigroup.org>
Imperial College London
Director, Thomas Young Centre @Imperial
Assistant Director, CDT in Theory & Simulation of Materials
Warden, Wilkinson & Weeks Hall




On 14 Dec 2014, at 05:20, Zeina Al-Dolami <zaldolam at email.uark.edu<mailto:zaldolam at email.uark.edu>> wrote:

To wannier's owners and developers,
Thanks to everyone for helping us. I have a question related to the projections in the input seedname.win. I am aware that there are different types of projections. I am confused about how to find these projections. Is it by using projwfc.x in PP? If so, is there an example of the input file or standard input file that you can inform me of? The user's manual for PP does not have much details and I am confused about it. Would you please help me with it? Looking forward to hearing from you and many thanks in advance

I appreciate your time
Zeina
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