[Wien] Symmetry adapted wanniers using wien to wannier interface

[Rubel, Oleg]

Dear Banhi,

the current w2w interface does not create the .dmn file you need for the symmetry-adapted wannierization.
We recently started a discussion about adding new features to w2w (the dmn file was on the list), but there is no timeline yet.

Best regards
Oleg

--
Oleg Rubel (PhD, PEng)
Department of Materials Science and Engineering
McMaster University
JHE 359, 1280 Main Street West, Hamilton, Ontario L8S 4L8, Canada
Email: rubelo at mcmaster.ca
Tel: +1-905-525-9140, ext. 24094
Web: http://olegrubel.mcmaster.ca



From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> On Behalf Of Banhi Chatterjee
Sent: Wednesday, July 6, 2022 1:42 PM
To: wien at zeus.theochem.tuwien.ac.at
Subject: [Wien] Symmetry adapted wanniers using wien to wannier interface

Dear users,
I am interested in performing a symmetry adapted Wannierization using the keyword  "site_symmetry=.true." in the .win file. However, this needs an additional input file seedname.dmn (in addition to the amn, and mmn files) which the wien2wannier interface (version 19.1) do not produce.
Is there a way to do a symmetry adapted Wannier using the existing versions of Wien2k and wien2wannier codes?
Thanks a lot for your reply.
Regards
Banhi
-- 
Dr. Banhi Chatterjee
Post-doctoral researcher
Jozef stefan Institute, Ljubljana, Slovenia
e-mail: mailto:Banhi.Chatterjee at ijs.si
        mailto:banhiphy at gmail.com