[Pw_forum] magnetization.x.xml vs magnetization.x.dat
Małgorzata Wawrzyniak-Adamczewska
mwaw at amu.edu.pl
Wed Jan 27 09:33:13 CET 2016
Dear Quantum Espresso Users and Developers,
I faced the following problem trying to calculate the band structure for
my system:
I did my scf calculations including SO with non-zero starting
magnetization.
Then I tried to calculate the band structure, and the program crashed
due to the lack of magnetization.x.xml file.
The problem is that the only file I can find is the magnetization.x.dat.
How can I obtain the xml files for magnetization? Is it posible from the
dat file?
I use QE 5.3.0 version.
Thanks in advance,
Malgorzata Wawrzyniak
UAM Poznan
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20160127/6bae7cb6/attachment.html>
More information about the users
mailing list