[Wien] Question regarding wien2wannier for wannier.spn file

Santu Baidya santubaidya2009 at gmail.com
Thu Mar 17 14:54:36 CET 2016


Dear Prof. Blaha and wien2k users,

   I am recently trying to get information regarding spin_moments as a
function of k using wannier90 interface with wien2k.

There is module kpath to plot the energy bands coloured by the expectation
value of the spin along [001]:

kpath = true kpath_task = bands kpath_bands_colour = spin
kpath_num_points=500

When I use it and run postw90.x it shows error

" Error: Problem opening input file wannier.spn
 Error on node 0: examine the output/error files for details"

Can anyone please help me to overcome this problem. Does wien2wannier
support spin as a function of k vector information to write?


I look forward to receive your positive help in this regard.


Thanking you and with regards,

Santu Baidya
University of Duisburg-Essen
Germany
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20160317/a1f1590a/attachment.html>


More information about the Wien mailing list