FYI, write_inwf_lapw in WIEN2k 17.1 should be from version 1 of
wien2wannier. If you want write_inwf_lapw from the version 2 of
wien2wannier. You may download and install it [
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16099.html
].
On 12/31/2017 9:10 AM, Oleg Rubel
Dear wien2kusers I'musing wien2k17 in order to obtain maximallylocalized
Wannier functions .
In order to do the calculation , I used the command init_w2w, this takes some
steps and then stop with the message:
" findbands -so -all [-2 1] (21:41:11)
/usr/local/codes/wien17/x_lapw: No match.
The wien2wannier comes with wien2k, but the wannier90 does not. It is,
however, straightforward to install wannier90.
Thanks
Oleg
--
Oleg Rubel (PhD, PEng)
Department of Materials Science and Engineering
McMaster University
JHE 359, 1280 Main Street West, Hamilton, Ontario L8S 4L8, Canada
Hello,
This is because of some change (concerning parameters) in the last
few versions of libxc. The attached libxc.F will be in the next
version of WIEN2k.
FT
On Sunday 2017-12-31 04:24, Arthur H. Edwards wrote:
Date: Sun, 31 Dec 2017 04:24:04
From: Arthur H. Edwards
Dear wien2k users,
I am running my calculation with wien 17, I just want to know if wien2wannier
and also wannier 90 are implemented in wien2k17 or they should be downloaded
and installed separately?
BestSahraii
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