Dear wien2wannier users, Please take note of the following *backward-incompatible changes* in your favorite LAPW → MLWF interface:
* The format of `case.inwplot' changed. Several outdated options have
been removed, as has `write_inwplot'. The new script
`checkinwplot' converts old-style input files. `x wplot' calls
this script automatically, but to use a converted file, you must
re-run `wplot':
$ x wplot # prints notification about converted file
$ x wplot # use converted file
* In spin-polarized cases, `x w2w -up|-dn' now expects separate input
files case.inwfup and case.inwfdn. To re-run `w2w' in an existing
directory, copy `case.inwf':
$ cp -vi $(basename $PWD).inwf $(basename $PWD).inwfup \
&& mv -vi $(basename $PWD).inwf $(basename $PWD).inwfdn
This release incorporates a number of fixes and enhancements that have
accumulated since Wien2k 14.2. For more details, see
https://git.io/w2w-NEWS-2.0 or the file $WIENROOT/SRC_w2w/NEWS.
Many of those changes were the direct result of users' feedback. In
particular, I would like to thank Marc Höppner, Hong Jiang, Okan
Köksal, Gernot Kraberger, Laurence Marks, Oleg Rubel, Liang Si, Yundi
Quan, Ulrich Wedig, Jiaxu Yan, Jianxin Zhu, and Manuel Zingl for their
valuable comments on past versions.
Elias Assmann
--
Elias Assmann
Wien2Wannier: maximally localized Wannier functions
from linearized augmented plane waves
http://wien2wannier.github.io/
https://github.com/wien2wannier/wien2wannier/
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