[Wannier] *.mmn file format

Carlos Reis carlos.loia.reis at gmail.com
Wed Aug 20 20:11:00 CEST 2008


Hello

I'm trying to calculate the spreads OmegaI, OmegaOD and OmegaD
(equations 34, 35 and 36 of PRB 56, 12851) using the b vector list of
the wannier90
output file and the information contained in the *mmn file.

Are the blocks in this file ordered according to the order of the b vector list?

kpt1 b1
kpt1 b2
.
.
.
kpt1 bn
kpt2 b1
kpt2 b2
.
.
.
kpt2 bn
.
.
.
.
kptn' bn

I know that the file format is described in the User's Guide but I
need to have a correspondence between a given block in this file and a
given b vector but I don't think I understand how the list of 5
integers prior to each block can give me that.

I'm sorry if this is a basic question. Any help will be appreciated.

Best regards, Carlos Reis.



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