[QE-users] Please help me to construct pw.x input file using space group and Wyckoff positions
Peshal Karki
pkarki at g.clemson.edu
Tue Sep 28 23:05:38 CEST 2021
Dear Users,
I am having trouble constructing an input file using the Wyckoff position
and space group. I formed an input file using the space group and Wyckoff
position for FeBiO3 (R3c h (161) ) but it crashed when I ran it. Could you
please suggest to me where I made mistakes while forming the input file. My
input file is attached below.
Thank you.
Best regards,
Peshal Karki
Graduate Student
Department of Physics and Astronomy
Clemson University
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20210928/fd438133/attachment.html>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: scf.in
Type: application/octet-stream
Size: 879 bytes
Desc: not available
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20210928/fd438133/attachment.obj>
More information about the users
mailing list